(4S,6S,9aS)-6-((S)-2-Mercapto-3-phenyl-propionylamino)-5-oxo-octahydro-9-thia-4a-aza-benzocycloheptene-4-carboxylic acid methyl ester

Base Information

Chemical Name:(4S,6S,9aS)-6-((S)-2-Mercapto-3-phenyl-propionylamino)-5-oxo-octahydro-9-thia-4a-aza-benzocycloheptene-4-carboxylic acid methyl ester
CAS No.:229976-38-9
Molecular Formula:C₂₀H₂₆N₂O₄S₂
Molecular Weight:422.569
Hs Code.:

Synonyms:(4S,6S,9aS)-6-((S)-2-Mercapto-3-phenyl-propionylamino)-5-oxo-octahydro-9-thia-4a-aza-benzocycloheptene-4-carboxylic acid methyl ester

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Chemical Property of (4S,6S,9aS)-6-((S)-2-Mercapto-3-phenyl-propionylamino)-5-oxo-octahydro-9-thia-4a-aza-benzocycloheptene-4-carboxylic acid methyl ester

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Technology Process of (4S,6S,9aS)-6-((S)-2-Mercapto-3-phenyl-propionylamino)-5-oxo-octahydro-9-thia-4a-aza-benzocycloheptene-4-carboxylic acid methyl ester

There total 10 articles about (4S,6S,9aS)-6-((S)-2-Mercapto-3-phenyl-propionylamino)-5-oxo-octahydro-9-thia-4a-aza-benzocycloheptene-4-carboxylic acid methyl ester which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 69.0%

: 84800-13-5
[14C]-(S)-3-phenyl-2-mercaptopropionic acid

: 167304-98-5
[4S-(4α,7α,10aβ)]-4-amino-octahydro-5-oxo-7H-pyrido[2,1-b] [1,3]thiazepine-7-carboxylic acid, methyl ester

: 229976-38-9
(4S,6S,9aS)-6-((S)-2-Mercapto-3-phenyl-propionylamino)-5-oxo-octahydro-9-thia-4a-aza-benzocycloheptene-4-carboxylic acid methyl ester

Guidance literature:: With (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; triethylamine; In dichloromethane; at 0 - 20 ℃; for 3h;
DOI:10.1021/jm970041e

Reference yield:

: 6033-32-5
(S)-2-amino-6-hydroxyhexanoic acid

: 229976-38-9
(4S,6S,9aS)-6-((S)-2-Mercapto-3-phenyl-propionylamino)-5-oxo-octahydro-9-thia-4a-aza-benzocycloheptene-4-carboxylic acid methyl ester

Guidance literature:: Multi-step reaction with 7 steps

1: 100 percent / HCl / 3.5 h / Heating

2: 1.) 1-<3-(dimethylamino)propyl>-3-ethylcarbodiimide hydrochloride, HOBt, 2.) 4-methylmorpholine / 1.) CH₂Cl₂, 0 deg C, 30 min, 2.) CH₂Cl₂, DMF, RT, 20 h

3: 1.) oxalyl chloride, DMSO, 2.) Et₃N / 1.) CH₂Cl₂, -78 deg C, 1 h, 2.) CH₂Cl₂, from -78 deg C to RT

4: NaOMe, MeOH / 0.17 h / 0 °C

5: CF₃CO₂H / CH₂Cl₂ / 16 h / Heating

6: 92 percent / (CH₃)3SiI / CH₂Cl₂ / 1.5 h / Ambient temperature

7: 69 percent / (benzotriazol-1-yloxy)tris-(dimethylamino)phosphonium hexafluorophosphate, Et₃N / CH₂Cl₂ / 3 h / 0 - 20 °C

With 4-methyl-morpholine; hydrogenchloride; methanol; oxalyl dichloride; trimethylsilyl iodide; sodium methylate; (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; benzotriazol-1-ol; dimethyl sulfoxide; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; trifluoroacetic acid; In dichloromethane;
DOI:10.1021/jm970041e

Reference yield:

: 121895-18-9
(S)-2-amino-6-hydroxyhexanoic acid methyl ester hydrochloride

: 229976-38-9
(4S,6S,9aS)-6-((S)-2-Mercapto-3-phenyl-propionylamino)-5-oxo-octahydro-9-thia-4a-aza-benzocycloheptene-4-carboxylic acid methyl ester

Guidance literature:: Multi-step reaction with 6 steps

1: 1.) 1-<3-(dimethylamino)propyl>-3-ethylcarbodiimide hydrochloride, HOBt, 2.) 4-methylmorpholine / 1.) CH₂Cl₂, 0 deg C, 30 min, 2.) CH₂Cl₂, DMF, RT, 20 h

2: 1.) oxalyl chloride, DMSO, 2.) Et₃N / 1.) CH₂Cl₂, -78 deg C, 1 h, 2.) CH₂Cl₂, from -78 deg C to RT

3: NaOMe, MeOH / 0.17 h / 0 °C

4: CF₃CO₂H / CH₂Cl₂ / 16 h / Heating

5: 92 percent / (CH₃)3SiI / CH₂Cl₂ / 1.5 h / Ambient temperature

6: 69 percent / (benzotriazol-1-yloxy)tris-(dimethylamino)phosphonium hexafluorophosphate, Et₃N / CH₂Cl₂ / 3 h / 0 - 20 °C

With 4-methyl-morpholine; methanol; oxalyl dichloride; trimethylsilyl iodide; sodium methylate; (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; benzotriazol-1-ol; dimethyl sulfoxide; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; trifluoroacetic acid; In dichloromethane;
DOI:10.1021/jm970041e