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(-)-Bupivacaine hydrochloride, Levobupivacaine hydrochloride, Chirocaine

左布比卡因Chemical Name: (-)-(S)-1-Butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide hydrochloride; (-)-(S)-1-Butyl-2',6'-pipecoloxylidide hydrochloride
CAS No. 27262-47-1 (free base)
项目整合开发状态: Launched-2000
项目研究机构: Celltech (Originator), Abbott (Licensee), Maruishi Pharmaceutical (Licensee), Purdue Pharma (Licensee)
合成路线:Levobupivacaine has been obtained by two different ways:1) The deamination of N-benzoyloxycarbonyl-L-lysine (I) with NaNO2/acetic acid gives 6-acetoxy-2(S)-(benzyl-oxycarbonylamino)hexanoic acid (II),which is amidated with 2,6-dimethylaniline (III) and dicyclohexylcarbodiimide (DCC) to the expected amide (IV).The deacetylation of (IV) with K2CO3 in methanol affords compound (V),which is tosylated as usual with tosyl chloride giving intermediate (VI),which is stereospecifically cyclized by means of K2CO3 in ethanol yielding N-(2,6-dimethyl-phenyl)piperidine-2 (S)-carboxamide (VII).Finally,this compound is alkylated with butyl bromide and K2CO3 or by reductoalkylation with butyraldehyde.2) The amidation of piperidine-2-carboxylic acid (VIII) with 2,6-dimethylaniline (III) by means of SOCl2 in toluene gives the corresponding amide (IX),which is alkylated with butyl bromide as before yielding racemic bupivacaine (X) (3).This compound is then submitted to optical resolution by treatment with (S,S)-(?-tartaric acid followed by crystallization of the resulting tartrate and acidification with HCl in isopropanol.
📌 参考资料/链接:
参考文献标题:The manufacture of levo-bupivacaine and analogues thereof from L-lysine
文献作者:Hutton,G.E.(Celltech Chiroscience plc)
参考来源:WO 9611181

📄 详细内容


合成路线:Levobupivacaine has been obtained by two different ways:1) The deamination of N-benzoyloxycarbonyl-L-lysine (I) with NaNO2/acetic acid gives 6-acetoxy-2(S)-(benzyl-oxycarbonylamino)hexanoic acid (II),which is amidated with 2,6-dimethylaniline (III) and dicyclohexylcarbodiimide (DCC) to the expected amide (IV).The deacetylation of (IV) with K2CO3 in methanol affords compound (V),which is tosylated as usual with tosyl chloride giving intermediate (VI),which is stereospecifically cyclized by means of K2CO3 in ethanol yielding N-(2,6-dimethyl-phenyl)piperidine-2 (S)-carboxamide (VII).Finally,this compound is alkylated with butyl bromide and K2CO3 or by reductoalkylation with butyraldehyde.2) The amidation of piperidine-2-carboxylic acid (VIII) with 2,6-dimethylaniline (III) by means of SOCl2 in toluene gives the corresponding amide (IX),which is alkylated with butyl bromide as before yielding racemic bupivacaine (X) (3).This compound is then submitted to optical resolution by treatment with (S,S)-(?-tartaric acid followed by crystallization of the resulting tartrate and acidification with HCl in isopropanol.

参考文献标题:Progress for preparing levobupivacaine and analogues thereof
文献作者:Frampton,G.A.C.; Zavareh,H.S.(Celltech Chiroscience plc)
参考来源:WO 9612700


合成路线:Levobupivacaine has been obtained by two different ways:1) The deamination of N-benzoyloxycarbonyl-L-lysine (I) with NaNO2/acetic acid gives 6-acetoxy-2(S)-(benzyl-oxycarbonylamino)hexanoic acid (II),which is amidated with 2,6-dimethylaniline (III) and dicyclohexylcarbodiimide (DCC) to the expected amide (IV).The deacetylation of (IV) with K2CO3 in methanol affords compound (V),which is tosylated as usual with tosyl chloride giving intermediate (VI),which is stereospecifically cyclized by means of K2CO3 in ethanol yielding N-(2,6-dimethyl-phenyl)piperidine-2 (S)-carboxamide (VII).Finally,this compound is alkylated with butyl bromide and K2CO3 or by reductoalkylation with butyraldehyde.2) The amidation of piperidine-2-carboxylic acid (VIII) with 2,6-dimethylaniline (III) by means of SOCl2 in toluene gives the corresponding amide (IX),which is alkylated with butyl bromide as before yielding racemic bupivacaine (X) (3).This compound is then submitted to optical resolution by treatment with (S,S)-(?-tartaric acid followed by crystallization of the resulting tartrate and acidification with HCl in isopropanol.

参考文献标题:Crystallization of levobupicavaine and analogues thereof
文献作者:Skead,B.M.; Langston,M.(Celltech Chiroscience plc)
参考来源:WO 9612699


合成路线:Levobupivacaine has been obtained by two different ways:1) The deamination of N-benzoyloxycarbonyl-L-lysine (I) with NaNO2/acetic acid gives 6-acetoxy-2(S)-(benzyl-oxycarbonylamino)hexanoic acid (II),which is amidated with 2,6-dimethylaniline (III) and dicyclohexylcarbodiimide (DCC) to the expected amide (IV).The deacetylation of (IV) with K2CO3 in methanol affords compound (V),which is tosylated as usual with tosyl chloride giving intermediate (VI),which is stereospecifically cyclized by means of K2CO3 in ethanol yielding N-(2,6-dimethyl-phenyl)piperidine-2 (S)-carboxamide (VII).Finally,this compound is alkylated with butyl bromide and K2CO3 or by reductoalkylation with butyraldehyde.2) The amidation of piperidine-2-carboxylic acid (VIII) with 2,6-dimethylaniline (III) by means of SOCl2 in toluene gives the corresponding amide (IX),which is alkylated with butyl bromide as before yielding racemic bupivacaine (X) (3).This compound is then submitted to optical resolution by treatment with (S,S)-(?-tartaric acid followed by crystallization of the resulting tartrate and acidification with HCl in isopropanol.

参考文献标题:Stereospecific synthesis of the anaesthetic levobupivacaine
文献作者:Dyer,U.; Hutton,G.; Adger,B.; Woods,M.
参考来源:Tetrahedron Lett 1996,37(35),6399-402


合成路线:Improved yield in the synthesis of levobupivacaine.An improved yield in the synthesis of levobupivacaine can be obtained by recovering the unwanted (R)-enantiomer side product in the optical resolution of the racemic bupivacaine.The treatment of (R)-(I) with refluxing propionic acid causes its racemization,yielding racemic-(I) (bupivacaine),which is then submitted to a new optical resolution process using dibenzoyl-L-tartaric acid.
参考文献标题:Racemisation of R-bupivacaine: A key factor in the integrated and economic process for the production of levobupivacaine
文献作者:Zavareh,H.S.; Dyer,U.C.; Woods,M.; Hutton,G.; Langston,M.; Skead,B.M.; Frampton,G.A.C.; Lock,C.J.
参考来源:Org Process Res Dev 2000,4(6),530


产品链接: CAS No. 27262-47-1››