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项目整合的本质是一项集合成方法学、反应工程学与过程分析技术于一体的系统工程。其核心逻辑可以概括为以下几点：源头优选：利用如N-硝胺化学等底层方法学突破，从分子层面颠覆传统高成本、高污染路线。过程强化：依托连续流技术，攻克有机金属试剂应用、光化学反应放大等“不可能”任务，实现高危工艺的本质安全。系统集成：整合“反应-淬灭-分离”全流程，利用微流控与在线分析技术，消除批次间的差异，实现药品制造的连续化与智能化。当前，中间体工艺研发正在经历从“经验驱动”向“数据驱动”的转变。AI辅助路线设计、自动化高通量筛选与连续制造平台的结合，将使得“分子结构与最优工艺路径”之间的映射关系逐渐清晰。未来的竞争优势，将属于那些能够将底层化学创新与先进工程技术进行无缝整合的研发体系。
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Strigol CAS Registry Number: 11017-56-4

CAS Name: (3E,3aR,5S,8bS)-3-[[[(2R)-2,5-Dihydro-4-methyl-5-oxo-2-furanyl]oxy]methylene]-3,3a,4,5,6,7,8,8b-octahydro-5-hydroxy-8,8-dimethyl-2H-indeno[1,2-b]furan-2-one
Percent Composition: C 65....
Literature References: Potent seed germination stimulant for the root parasite, witchweed, Striga lutea Lour. isolated from root exudates of cotton, Gossypium hirsutum L.: C. E. Cook et al., Science 154, 1189 (1966). Structure: eidem, J. Am. Chem. Soc. 94, 6198 (1972). Crystal structure: P. Coggan et al., J. Chem. Soc. Perkin Trans. 2 1973, 465. Synthesis: J. B. Heather et al., J. Am. Chem. Soc. 98, 3661 (1976); of (±)-form: G. A. MacAlpine et al., Chem. Commun. 1974, 834; eidem, J. Chem. Soc. Perkin Trans. 1 1976, 410. Synthesis of analogs: A. W. Johnson et al., ibid. 1981, 1734. Witchweed seed germination stimulating activity: A. L. Hsiao et al., Weed Sci. 29, 101 (1981); A. B. Pepperman et al., ibid. 30, 561 (1982).

Disparlure CAS Registry Number: 29804-22-6 (cis-form); 54910-51-9 (2S-cis-form) 顺式-7,8-环氧-2-甲基十八烷

CAS Name: (2S-cis)-2-Decyl-3-(5-methylhexyl)oxirane
Additional Names: cis-7,8-epoxy-2-methyloctadecaneTrademarks: Disrupt (Hercon)
Percent Composition: C 80.78%, H 13.56%, O 5.66%
Literature References: Potent sex pheromone of the gypsy moth Lymantria dispar (formerly Porthetria dispar). Isoln and characterization: B. A. Bierl et al., Science 170, 87 (1970); eidem, J. Econ. Entomol. 65, 659 (1972). Synthesis: S. Iwaki et al., J. Am. Chem. Soc. 96, 7842 (1974); D. G. Farnum et al., Tetrahedron Lett. 1977, 4009; K. Mori et al., Tetrahedron 35, 833 (1979); B. E. Rossiter et al., J. Am. Chem. Soc. 103, 464 (1981); K. Mori, T. Ebata, Tetrahedron Lett. 22, 4281 (1981). Synthesis of (±)-form: K. Eiter, Angew. Chem. Int. Ed. 11, 60 (1972); idem, DE 2145454; idem, US 3975409 (1973, 1976 both to Bayer); H. J. Bestmann et al., Ber. 109, 3375 (1976). Activity of (+)- and (±)-forms: R. T. Cardé, R. P. Webster, J. Chem. Ecol. 5, 935 (1979). Acute toxicity study: M. Beroza et al., Toxicol. Appl. Pharmacol. 31, 421 (1975).

Palytoxin CAS Registry Number: 77734-91-9 (C52-55-半缩醛)海葵毒素

CAS Name: Palytoxin (C51-55 hemiacetal)
Additional Names: PTX
Percent Composition: C 57.81%, H 8.39%, N 1.57%, O 32.24%
Literature References: Potent toxin isolated from zoanthid coral of the genus Palythoa that is the most poisonous non-proteinaceous substance known. Isoln from "Limu-make-o-Hana", the Hawaiian name for the highly toxic coelenterate Palythoa toxica: R. E. Moore, P. J. Scheuer, Science 172, 495 (1971). Structure: R. E. Moore, G. Bartolini, J. Am. Chem. Soc. 103, 2491 (1981). Structure of palytoxin from P. tuberculosa of Okinawa (differs from palytoxin from P. toxica at two positions): D. Uemura et al., Tetrahedron Lett. 22, 2781 (1981). Proposed absolute configuration of 60 of the 64 chiral centers: R. E. Moore et al., J. Am. Chem. Soc. 104, 3776 (1982). Structure and stereochemistry: J. K. Cha et al., ibid. 7369. Discussion of the structural elucidation, see Y. Shimizu, Nature 302, 212 (1983); review: R. E. Moore, Prog. Chem. Org. Nat. Prod. 48, 82-202 (1985). Synthetic studies: Y. Kishi, Chem. Scr. 27, 573 (1987). Pharmacological study: P. N. Kaul et al., Proc. West. Pharmacol. Soc. 17, 294 (1974). Mechanism of action and treatment of palytoxin poisoning: J. A. Vick et al., Toxicol. Appl. Pharmacol. 34, 214 (1975). Mode of contractile action on vascular smooth muscle: K. Ito et al., Eur. J. Pharmacol. 46, 9 (1977). Depolarizing action on frog spinal cord: Y. Kudo, S. Shibata, Br. J. Pharmacol. 71, 575 (1980). Toxicology and toxicity studies: J. S. Wiles et al., Toxicon 12, 427 (1974); K. Ito et al., Arch. Int. Pharmacodyn. Ther. 258, 146 (1982). Brief review of biology: P. J. Scheuer, Acc. Chem. Res. 10, 33-39 (1977). Review of synthetic studies and conformational analysis: Y. Kishi, Pure Appl. Chem. 61, 313-324 (1989).

Sulforaphane CAS Registry Number: 142825-10-3; 4478-93-7 (unspecified stereo) 萝卜硫素

CAS Name: (R)-1-Isothiocyanato-4-(methylsulfinyl)butane
Additional Names: 4-methylsulfinylbutyl isothiocyanate
Percent Composition: C 40.65%, H 6.25%, N 7.90%, O 9.02%, S 36.17%
Literature References: Potent, selective inducer of phase II detoxification enzymes with anticarcinogenic properties. Occurs naturally in broccoli. Prepn: H. Schmid, P. Karrer, Helv. Chim. Acta 31, 1497 (1948). Absolute configuration: K. Mislow et al., J. Am. Chem. Soc. 87, 665 (1965). Isoln from SAGA broccoli and enzyme inducing activities: Y. Zhang et al., Proc. Natl. Acad. Sci. USA 89, 2399 (1992). Asymmetric synthesis: J. K. Whitesell, M.-S. Wong, J. Org. Chem. 59, 597 (1994). In vivo antitumor activity: Y. Zhang et al., Proc. Natl. Acad. Sci. USA 91, 3147 (1994). Mechanism of action study: M. C. Myzak et al., Cancer Res. 64, 5767 (2004). Review of antioxidant activitiy: J. W. Fahey, P. Talalay, Food Chem. Toxicol. 37, 973-979 (1999).

EDTA CAS Registry Number: 60-00-4 乙二胺四乙酸

CAS Name: N,N'-1,2-Ethanediylbis[N-(carboxymethyl)glycine]
Additional Names: ethylenebis(iminodiacetic acid); (ethylenedinitrilo)tetraacetic acid; ethylenediaminetetraacetic acid; edathamil; ed...
Literature References: Powerful chelating agent; forms stable complexes with most metal ions. Prepn: F. Münz, US 2130505 (1938 to General Aniline); R. Smith et al., J. Org. Chem. 14, 355 (1949). Prepn of a- and b-form of crystals: R. B. Le Blanc, H. L. Spell, J. Phys. Chem. 64, 949 (1960). Efficacy in animal models of cadmium toxicity: L. R. Cantilena, Jr., C. D. Klaassen, Toxicol. Appl. Pharmacol. 53, 510 (1980). Lead mobilization by calcium and zinc salts: C. F. Brownie, A. L. Aronson, ibid. 75, 167 (1984). Determn in pharmaceutical formulations and foods: A. A. Krokidis et al., Anal. Chim. Acta 535, 57 (2005). Clinical evaluation in calcific band keratopathy: D. M. Najjar et al., Am. J. Ophthalmol. 137, 1056 (2004). Review of laboratory uses: W. C. Broad, Am. Lab. 3, 47-51 (1971); of toxicology: K. Heindorff et al., Mutat. Res. 115, 149-173 (1983); of use in personal care products: J. R. Hart, Cosmet. Toiletries 98, 54-58 (1983); of determn methods: M. Sillanpää, M.-L. Sihvonen, Talanta 44, 1487-1497 (1997); of properties and analysis methods: F. Belal, A. A. Al-Badr, Anal. Profiles Drug Subs. Excip. 29, 57-104 (2002); of safety and efficacy in chelation therapy in atherosclerosis: M. T. Grier, D. G. Meyers, Ann. Pharmacother. 27, 1504-1509 (1993); E. Ernst, Am. Heart J. 140, 139-141 (2000). Safety assessment: Int. J. Toxicol. 21, (Suppl. 2), 95-142 (2002).

Saxitoxin CAS Registry Number: 35554-08-6

Additional Names: Mussel poison; clam poison; paralytic shellfish poison; gonyaulax toxin; STX
Literature References: Powerful neurotoxin produced by the dinoflagellates Gonyaulax catenella, or G. tamarensis, the consumption of which causes the California sea mussel Mytilus californianus, the Alaskan butterclam Saxidomus giganteus and the scallop to become poisonous: Sommer et al., Arch. Pathol. 24, 537, 560 (1937); Schantz et al., Can. J. Chem. 39, 2117 (1961); Ghazarossian et al., Biochem. Biophys. Res. Commun. 59, 1219 (1974). These poisonous shellfish have been connected to instances of toxic "red-tides" where the high concentrations of algae discoloring the water were of the Gonyaulax genus. Isoln and partial characterization: Schantz et al., J. Am. Chem. Soc. 79, 5230 (1957); Mold et al., ibid. 5235. Purifn and biochemical data: Schantz et al., Biochemistry 5, 1191 (1966); Schantz, Ann. N.Y. Acad. Sci. 90, 843 (1960). pKa values: R. S. Rogers, H. Rapoport, J. Am. Chem. Soc. 102, 7335 (1980). Toxicity: G. S. Wiberg, N. R. Stephenson, Toxicol. Appl. Pharmacol. 2, 607 (1960). Structural studies: Schuett, Rapoport, J. Am. Chem. Soc. 84, 2266 (1962); Wong et al., ibid. 93, 4633, 7344 (1971). Revised structure: Schantz et al., ibid. 97, 1238 (1975); Bordner et al., ibid. 97, 6008 (1975). Pharmacology including study of sodium transport inhibition: Cheymol et al., Arch. Int. Pharmacodyn. Ther. 174, 393 (1968); Evans, Br. Med. Bull. 25, 263 (1969). Stereospecific total synthesis of dl-saxitoxin: H. Tanino et al., J. Am. Chem. Soc. 99, 2818 (1977); Y. Kishi, Heterocycles 14, 1477 (1980). Reviews: Kao, Pharmacol. Rev. 18, 997 (1966); Kao, Fed. Proc. 31, 1117 (1972); Narahashi, ibid. 1124, Evans, Int. Rev. Neurobiol. 15, 83 (1972); Y. Shimizu in Progress in the Chemistry of Natural Products vol. 45, W. Herz et al., Eds. (Springer-Verlag, New York, 1984) pp 239-246. See also Brevetoxins.

Belleau's Reagent CAS Registry Number: 88816-02-8 Belleau's试剂[硫化试剂]

CAS Name: 2,4-Bis(4-phenoxyphenyl)-1,3,2,4-dithiadiphosphetane 2,4-disulfide
Percent Composition: C 54.53%, H 3.43%, O 6.05%, P 11.72%, S 24.26%
Literature References: p-Phenoxy derivative of Lawesson's reagent, q.v. Prepn: G. Lajoie et al., Tetrahedron Lett. 24, 3815 (1983). Synthetic applications: B. Yde et al., Tetrahedron 40, 2047 (1984); M. Caron, J. Org. Chem. 51, 4075 (1986); M. M. Campbell et al., Tetrahedron Lett. 30, 1997 (1989); A. G. M. Barrett, A. C. Lee, J. Org. Chem. 57, 2818 (1992); R. Shabana et al., Tetrahedron 49, 1271 (1993); eidem, ibid. 50, 6975 (1994); S. V. Ley et al., Org. Lett. 4, 711 (2002).

Diflufenican CAS Registry Number: 83164-33-4 吡氟草胺

CAS Name: N-(2,4-Difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]-3-pyridinecarboxamide
Additional Names: N-(2,4-difluorophenyl)-2-(3-trifluoromethylphenoxy)nicotinamide; 2',4'-difluoro-2-(a,a,a-...
Literature References: Pre and post emergence foliar absorbed herbicide for winter weed control in cereal crops; carotenoid biosynthesis inhibitor. Prepn: M. C. Cramp et al., EP 53011; eidem, US 4618366 (1981, 1986 both to May Baker). Description of physical properties, toxicity and activity: M. C. Cramp et al., Proc. Br. Crop Prot. Conf. - Weeds 1985, 23. Mode of action: G. Britton et al., ibid. 1987, 1015. GC determn in runoff and soil: L. Patty, C. Guyot, Bull. Environ. Contam. Toxicol. 55, 802 (1995). Degradation and persistence in soil: E. Conte et al., J. Agric. Food Chem. 46, 4766 (1998).

Neopterin CAS Registry Number: 670-65-5 4(3H)-普替啶,2-氨基-6-[(1S,2R)-1,2,3-三羟基丙基]-

CAS Name: 2-Amino-6-(1,2,3-trihydroxypropyl)-4(3H)-pteridinone
Additional Names: 1-(2-amino-4-hydroxy-6-pteridinyl)-1,2,3-propanetriol; 6-(1',2',3'-trihydroxy)pterin; Crithidia factor
Percen...
Literature References: Precursor in the biosynthesis of biopterin, q.v. Of the four possible isomers, D-erythro, L-erythro, D-threo, L-threo, two have been found in nature: the D-erythro form, to which the term neopterin originally referred; first isolated from the pupae of bees: Rembold, Buschmann, Ann. 662, 72 (1963); the L-threo form, found to be the growth factor for the protozoan Crithidia fasciculata and isolatable from cell-free extracts of Serratia indica: Kobashi, Iwai, Agric. Biol. Chem. 35, 47 (1971); 36, 1685, 1695 (1972). Both natural forms found in human urine: Fukushima, Shiota, J. Biol. Chem. 247, 4549 (1972). Early synthetic studies and structure: Rembold, Buschmann, Ber. 96, 1406 (1963). Synthesis of L-(-)-form: Viscontini, Provenzale, Helv. Chim. Acta 51, 1495 (1968). Synthesis of natural D-neopterin: Viscontini et al., ibid. 53, 1202 (1970).

Mevalonic Acid CAS Registry Number: 150-97-0 3,5-二羟基-3-甲基戊酸

CAS Name: 3,5-Dihydroxy-3-methylpentanoic acid
Additional Names: 3,5-dihydroxy-3-methylvaleric acid; b,d-dihydroxy-b-methylvaleric acid; hiochic acid
Percent Composition: C 48.64%, H 8.16%, ...
Literature References: Precursor in the biosynthesis of cholesterol. Occurs in equilibrium with the d-lactone. Isoln from distillers' solns: Wright et al., J. Am. Chem. Soc. 78, 5273 (1956). Synthesis: Wolf et al., ibid. 79, 1486 (1957); Hoffmann et al., ibid. 2316; Eggerer et al., Ann. 608, 71 (1957); US 2915398; US 2915531; US 2915532; US 2915533; US 2915551 (all 1959 to Merck Co.); Shunk et al., US 3014963 (1961 to Merck Co.); Hulcher, Hosick, US 3119842 (1964); F. C. Huang et al., J. Am. Chem. Soc. 97, 4144 (1975). Resolution: Shunk et al., ibid. 79, 3294 (1957); US 2945059 (1960 to Merck Co.). Synthesis of the d-lactone: R. H. Cornforth et al., Tetrahedron 18, 1351 (1962); E. L. Eliel, K. Soai, Tetrahedron Lett. 22, 2859 (1981); A. Banerji, G. P. Kalena, Synth. Commun. 12, 225 (1982). Review of organic and biochemistry: Wagner, Folkers, Endeavour 20, 177-187 (Oct. 1961). Prepn of 5-phosphate: Robinson, Wittreich, US 3014057 (1961 to Merck Co.). Review of role of mevalonic acid in sterol biosynthesis: G. J. Schroepfer, Jr., Annu. Rev. Biochem. 50, 585-621 (1981); E. Caspi, Tetrahedron 42, 3-50 (1986).