CAS: 4254-15-3; (S)-Propane-1,2-Diol

该化合物是具有分子式C3H8O2的手性二醇,具有分子式C3H8O2.这种对应纯度的化合物广泛用作溶剂,手性辅助剂或医药,农用化学品和精美化学合成的中间体,其高光质和可预测的立体化学使其对不对称合成和对应选择性反应具有价值.该化合物在水和有机溶剂中表现出极好的溶性,提高了其在配制应用中的效用.其低毒性和生物降解性进一步支持其在环境敏感工艺中的使用. (S-+)-Propane-1-2-diol通常提供严格的质量控制,以确保研究和工业应用的一致性.

英文名称(S)-Propane-1,2-Diol
中文名称(S)-(+)-1,2-丙二醇
IUPAC名称(S)-propane-1,2-diol
其它别名(S)-(+)-Propylene glycerol
CAS编号4254-15-3
MFCD编号:MFCD00004539
EINECS号:610-039-0
FDA UNII编号:942194N4TD
分子式:C3H8O2
分子量:76.09
产品CID: 1438386
产品分类医药中间体 → 原料药中间体

相似结构搜索
InChIKey: DNIAPMSPPWPWGF-VKHMYHEASA-N
InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m0/s1…
计算化学: 氢键受体数2.0氢键供体数2.0可旋转键数1.0

物理性质

熔点-59 °C
沸点184.8±8.0 °C at 760 mmHg
闪点107.2±0.0 °C
密度1.0±0.1 g/cm3
PH:16 º (c=neat)
pKa:14.49±0.20(预测)
PSA:40.46
LogP:-1.34
旋光度16º(C=NEAT)
折射率1.430
蒸汽压0.2±0.8 mmHg at 25°C
溶解性Miscible With Acetone, Chloroform, Ethanol (95%), Glycerin, And Water; Soluble At 1 In 6 Parts Of Ether; Not Miscible With Light Mineral Oil Or Fixed Oils, But Will Dissolve Some Essential Oils.
敏感性吸潮
外观形态透明无色液体
储存条件置于阴暗处,密封, 常温干燥保存
产品应用手性药物合成.
性质描述该品为无色至淡黄色液体.密度1.036,熔点-59°C,沸点186-188°C(765毫米汞柱),折射率1.431-1.435,闪点102°C,比旋光度16°(c=neat),水溶性soluble

MSDS等安全信息

GHS象形图
GHS符号GHS07;
注释: Exclamation mark
危险类别严重眼刺激类别2
特定目标器官毒性 - 单次接触类别3
皮肤腐蚀/刺激类别2
严重眼刺激类别2A
警示词Warning(警告)
危险描述H319 |造成严重眼刺激.
H335 |可能引起呼吸道刺激.
H315 |造成皮肤刺激.
防范说明P261-P305+P351+P338
UN编号NONH for all modes of transport
危险品标志Xn
安全声明24/25-36/37/39-26
危险类别码36/37/38-22
WGK Germany1

欧盟法规

REACH注册ECHA物质ECHA物质C&L通报REACH预注册

上下游产品

合成工艺路线路线简述

4254-15-3 + 461432-25-7 = 4254-15-3 + 461432-26-8 + 960404-48-2
反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Methanol,Water; 1.5 H,Rt -> 68 °C; 1 H,68 °C -> 65 °C; 0.5 H1.2 Solvents: Isopropyl Acetate; 25 °C; 10 Min1.3 1 H
标题:Crystalline Solvates Of Amino Acid Complexes With (1S)-1,5-Anhydro-L-C-(3-((Phenyl)Methyl)Phenyl)-D-Glucitol Were Prepared As Sglt2 Inhibitors For The Treatment Of Diabetes
参考文献:World Intellectual Property Organization]

2088749-74-8 + 4254-15-3 = 4254-15-3 + 461432-26-8 + 960404-48-2
反应条件:1.1 Reagents: Triethylsilane Catalysts: Boron Trifluoride Etherate Solvents: Acetonitrile; 0 - 25 °C; 6 - 8 H,15 - 25 °C1.2 Reagents: Water Solvents: Tert-Butyl Methyl Ether
标题:Preparation Of Sglt-2 Inhibitors And Its Intermediates
参考文献:China]

461432-26-8 = 4254-15-3 + 461432-26-8 + 960404-48-2
反应条件:1.1 Solvents: Water; 35 °C -> 55 °C; 30 - 40 Min,50 - 55 °C1.2 Solvents: Cyclohexane
标题:An Improved Process For Preparation Of Dapagliflozin Propanediol Monohydrate
参考文献:World Intellectual Property Organization]

57-55-6 + 461432-26-8 = 4254-15-3 + 461432-26-8 + 960404-48-2
反应条件:1.1 Solvents: Isopropyl Acetate,Water; 20 Min,25 - 30 °C1.2 Solvents: Cyclohexane; 25 - 30 °C; 2 H,25 - 30 °C; 30 °C -> 20 °C; 6 H,15 - 20 °C1.3 Solvents: Isopropyl Acetate; 30 °C -> 50 °C; 30 Min,25 - 30 °C; 50 °C -> 30 °C; 15 Min,25 - 30 °C1.4 Solvents: Cyclohexane; 2 H,25 - 30 °C; 30 °C -> 20 °C; 2 H,15 - 20 °C
标题:Process For The Preparation Of (1S)-1,5-Anhydro-1-C-[4-Chloro-3-[(4-Ethoxyphenyl)Methyl]Phenyl]-D-Glucitol (Dapagliflozin) And Its Solvate Thereof
参考文献:World Intellectual Property Organization]

= 4254-15-3 + 461432-26-8 + 960404-48-2 [标题:Reaction Conditions
标题:Process For The Preparation Of Dapagliflozin
参考文献:India]

= 4254-15-3 + 461432-26-8 + 960404-48-2 [标题:Reaction Conditions
标题:Dapagliflozin Hemihydrate And Crystal Form Thereof,Preparation Method,And Pharmaceutical Composition Thereof
参考文献:China]

= 4254-15-3 + 461432-26-8 + 960404-48-2 [标题:Reaction Conditions
标题:Process For The Preparation Of (1S)-1,5-Anhydro-1-C-[4-Chloro-3-[(4-Ethoxyphenyl)Methyl]Phenyl]-D-Glucitol (Dapagliflozin) And Its Solvate Thereof
参考文献:India]

= 4254-15-3 + 461432-26-8 + 960404-48-2 [标题:Reaction Conditions
标题:Pharmaceutical Formulations Containing Dapagliflozin Propylene Glycol Hydrate
参考文献:World Intellectual Property Organization]

2001088-28-2 + 4254-15-3 = 4254-15-3 + 461432-26-8 + 960404-48-2
反应条件:1.1 Reagents: Boron Trifluoride Etherate,Sodium Iodide Solvents: Acetonitrile; 25 - 30 °C; 3 H,30 - 35 °C1.2 Reagents: Triethylamine; 4 H,25 - 30 °C1.3 Reagents: Hydrochloric Acid Solvents: Water; Ph 2 - 31.4 Solvents: Cyclohexane,Water
标题:Process For The Preparation Of Dapagliflozin
参考文献:World Intellectual Property Organization]

= 4254-15-3 + 461432-26-8 + 960404-48-2 [标题:Reaction Conditions
标题:Improved Process For Dapagliflozin Propanediol Monohydrate
参考文献:India]

= 4254-15-3 + 461432-26-8 + 960404-48-2 [标题:Reaction Conditions
标题:An Improved Process For Preparation Of Dapagliflozin Propanediol Monohydrate
参考文献:India]

= 4254-15-3 + 461432-26-8 + 960404-48-2 [标题:Reaction Conditions
标题:Premix Of Dapagliflozin And Process For The Preparation Thereof
参考文献:India]

= 4254-15-3 + 461432-26-8 + 960404-48-2 [标题:Reaction Conditions
标题:Bilayer Tablet Formulations
参考文献:United States]

= 4254-15-3 + 461432-26-8 + 960404-48-2 [标题:Reaction Conditions
标题:Drug Formulations Using Water Soluble Antioxidants
参考文献:United States]

= 4254-15-3 + 461432-26-8 + 960404-48-2 [标题:Reaction Conditions
标题:Bilayer Tablet Formulations Containing Metformin And Sglt2 Inhibitor
参考文献:World Intellectual Property Organization

L-乳酸置于platinum(Iv) Oxide,Rhenium(Vii) Oxide 硫酸,氢气体系中,用水作为反应溶剂,80.0 °C,20.0 Mpa 条件下,反应 5.0H,以99%的收率获得产物
参考文献:[de] Verfahren Zur Herstellung Optisch Aktiver 2-Amino-,2-Chlor-,2-Hydroxy Oder 2-Alkoxy-1-Alkohole Method For The Production Of Optically Active 2-Amino-,2-Chloro-,2-Hydroxy Or 2-Alkoxy-1-Alcohols[fr] Procédés Pour Produire Des Alcools Optiquement Actifs,à Savoir Des 2-Amino-Alcools,2 Chloro-Alcools,2-Hydroxy-Alcools Ou 2-Alcoxy-Alcools
标题:[de] Verfahren Zur Herstellung Optisch Aktiver 2-Amino-,2-Chlor-,2-Hydroxy Oder 2-Alkoxy-1-Alkohole Method For The Production Of Optically Active 2-Amino-,2-Chloro-,2-Hydroxy Or 2-Alkoxy-1-Alcohols[fr] Procédés Pour Produire Des Alcools Optiquement Actifs,à Savoir Des 2-Amino-Alcools,2 Chloro-Alcools,2-Hydroxy-Alcools Ou 2-Alcoxy-Alcools
摘要:本发明涉及通过催化还原相应的光学活性2-氨基,2-氯,2-羟基或2-烷氧基-1-脂肪醇的光学活性2-氨基,2-氯,2-羟基和2-烷氧基羧酸或其酸衍生物的制备方法,其中在钯和铼或铂和铼催化剂的存在下进行催化还原.

海关参考信息

2905122000-异丙醇
2905310000-1,2-乙二醇
2905320000-1,2-丙二醇
💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
详情请参考：📖 海关编码查询和海关进出口税则

专利信息

专利号:US-11873305-B2
优先权日:2020-06-30
标题 :Processes for synthesis of substituted indole intermediates for the synthesis of serd compounds
发明人：ZHANG HAIMING; XU JIE; WUITSCHIK GEORG; ANGELAUD REMY; HEROLD SEBASTIAN; STUTZ ALFRED; BRUETSCH TOBIAS; BURKHARD JOHANNES
权利人:GENENTECH INC; HOFFMANN LA ROCHE
摘要:Provided herein are processes for the preparation of indolyl intermediates using Wenker Synthesis for the total synthesis of SERD compounds useful in the treatment of cancer.

专利号:US-9783549-B2
优先权日:2013-11-04
标题:Macrocyclization reactions and intermediates useful in the synthesis of analogs of halichondrin B
发明人：FANG FRANCIS G; KIM DAE-SHIK; CHOI HYEONG-WOOK; CHASE CHARLES E; LEE JAEMOON
权利人:EISAI R&D MAN CO LTD
摘要:The invention provides methods for the synthesis of eribulin or a pharmaceutically acceptable salt thereof (e.g., eribulin mesylate) through a macrocyclization strategy. The macrocyclization strategy of the present invention involves subjecting a non-macrocyclic intermediate to a carbon-carbon bond-forming reaction (e.g., an olefination reaction (e.g., Homer-Wadsworth-Emmons olefination), Dieckmann reaction, catalytic Ring-Closing Olefin Metathesis, or Nozaki-Hiyama-Kishi reaction) to afford a macrocyclic intermediate. The invention also provides compounds useful as intermediates in the synthesis of eribulin or a pharmaceutically acceptable salt thereof and methods for preparing the same.

专利号:US-2024024489-A1
优先权日:2020-11-20
标题:Protected disaccharides, their process of preparation and their use in the synthesis of zwitterionic oligosaccharides, and conjugates thereof
发明人：MULARD LAURENCE; DHARA DEBASHIS; PFISTER HELENE; PAOLETTI JULIE; PHALIPON ARMELLE; GUERREIRO-INVERNO CATHERINE
权利人:PASTEUR INSTITUT
摘要:The present invention provides zwitterionic oligosaccharides, in particular fragments of the surface polysaccharides from Shigella sonnei and Shigella sonnei conjugates comprising them. The present invention also provides protected disaccharides, their process of preparation and their use in the synthesis of zwitterionic oligosaccharides, and conjugates thereof, the disaccharide repeating unit of Shigella sonnei being: (I)

专利号:US-7202256-B2
优先权日:2004-04-14
标题:Proline CCI-779, production of and uses therefor, and two-step enzymatic synthesis of proline CCI-779 and CCI-779
发明人：GU JIANXIN; RUPPEN MARK E; RAVEENDRANATH PANOLIL; CHEW WARREN; SHAW CHIA-CHENG
权利人:WYETH CORP
摘要:Methods for the synthesis of CCI-779 and proline-CCI-779 are described, including a method involving lipase-catalyzed acetylation of 42-hydroxy of rapamycin with a vinyl ester of 2,2-bis(hydroxymethyl) propionic acid in an organic solvent followed by deprotection. Also provided are products containing proline-CCI-779 and uses thereof.

专利号:US-6201101-B1
优先权日:1998-11-19
标题:Catalyst and its use for the synthesis of polyol polyethers
发明人：TOZZOLA GABRIELLA; PO' RICCARDO; CARDI NICOLETTA
权利人:ENICHEM SPA
摘要:The present invention relates to a catalyst having general formula (I):wherein: M represents at least one cation of an element selected from earth-alkaline metals belonging to groups IIA, IIIA, VA, or transition metals belonging to groups IIB, IIIB, VB or VIIIB; n represents an integer between 0 and 2 and x is an integer between 2 and 5.The invention also relates to a process for the synthesis of polyol polyethers which uses a catalyst having general formula (I).

专利号:US-9695188-B2
优先权日:2013-12-06
标题 :Methods useful in the synthesis of halichondrin B analogs
发明人：HU YONGBO; ZHANG HUIMING; CHIBA HIROYUKI; KOMATSU YUKI; LEWIS BRYAN M
权利人:EISAI R&D MAN CO LTD
摘要:In general, the present invention features improved methods useful for the synthesis of analogs of halichondrin B, such as eribulin and pharmaceutically acceptable salts thereof (e.g., eribulin mesylate).

其他信息查阅

常州伊思特化工有限公司

网址: http://www.yeschem.com
电话: 0713-3976908 3976904👤

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上海邦成化工有限公司

网址: http://www.bangchengchem.com
企业联系电话：021-69106990;69106980;13701823733👤
地址:上海市青浦区重固镇赵重公路2278号5号楼3层C57座

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常州市华人化工有限公司

网址: http://www.huarenchem.com
电话: 0519-88103998👤

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上海凯赛化工有限公司

网址: http://www.kaisaichem.com
企业联系电话：021-33516711;33516722;13701817765👤
地址:上海市金沙江西路1051号

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📌 第三方产品分析报告

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合成参考文献

参考文献:10.1101/gad.635911
摘要:Weber G, Cristão VF, de L Alves F, Santos KF, Holton N, Rappsilber J, Beggs JD, Wahl MC. Mechanism for Aar2p function as a U5 snRNP assembly factor. Genes Dev. 2011 Aug 01;25(15):1601–12.