(S)-N-hydroxy-4-(4-methoxyphenylsulfonyl)-2,2-dimethyl-1,4-thiazepane-3-carboxamide

Base Information

Chemical Name:(S)-N-hydroxy-4-(4-methoxyphenylsulfonyl)-2,2-dimethyl-1,4-thiazepane-3-carboxamide
CAS No.:204129-53-3
Molecular Formula:C₁₅H₂₂N₂O₅S₂
Molecular Weight:374.482
Hs Code.:
DSSTox Substance ID:DTXSID101116596
Nikkaji Number:J1.214.984K
Pharos Ligand ID:1CFJ42NW7WMW
ChEMBL ID:CHEMBL140970

Synonyms:CHEMBL140970;SCHEMBL11889703;DTXSID101116596;BDBM50082545;(S)-N-hydroxy-4-(4-methoxyphenylsulfonyl)-2,2-dimethyl-1,4-thiazepane-3-carboxamide;(3S)-4-(4-Methoxyphenylsulfonyl)-2,2-dimethylhexahydro-1,4-thiazepine-3alpha-carbohydroxamic acid;(3S)-Hexahydro-N-hydroxy-4-[(4-methoxyphenyl)sulfonyl]-2,2-dimethyl-1,4-thiazepine-3-carboxamide;(S)-4-(4-Methoxy-benzenesulfonyl)-2,2-dimethyl-[1,4]thiazepane-3-carboxylic acid hydroxyamide;204129-53-3

Suppliers and Price of (S)-N-hydroxy-4-(4-methoxyphenylsulfonyl)-2,2-dimethyl-1,4-thiazepane-3-carboxamide

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of (S)-N-hydroxy-4-(4-methoxyphenylsulfonyl)-2,2-dimethyl-1,4-thiazepane-3-carboxamide

Chemical Property:

XLogP3:1.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:374.09701415
Heavy Atom Count:24
Complexity:539

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1(C(N(CCCS1)S(=O)(=O)C2=CC=C(C=C2)OC)C(=O)NO)C
Isomeric SMILES:CC1([C@@H](N(CCCS1)S(=O)(=O)C2=CC=C(C=C2)OC)C(=O)NO)C

Technology Process of (S)-N-hydroxy-4-(4-methoxyphenylsulfonyl)-2,2-dimethyl-1,4-thiazepane-3-carboxamide

There total 7 articles about (S)-N-hydroxy-4-(4-methoxyphenylsulfonyl)-2,2-dimethyl-1,4-thiazepane-3-carboxamide 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:

: (R)-4-(4-Methoxy-benzenesulfonyl)-2,2-dimethyl-[1,4]thiazepane-3-carbonyl chloride

: 204129-53-3
(S)-4-(4-Methoxy-benzenesulfonyl)-2,2-dimethyl-[1,4]thiazepane-3-carboxylic acid hydroxyamide

Guidance literature:: With hydroxylamine; triethylamine; In tetrahydrofuran; dichloromethane; at 20 ℃;
DOI:10.1021/jm990330y

Reference yield:

: 34297-27-3
D-penicillamine methyl ester hydrochloride

: 204129-53-3
(S)-4-(4-Methoxy-benzenesulfonyl)-2,2-dimethyl-[1,4]thiazepane-3-carboxylic acid hydroxyamide

Guidance literature:: Multi-step reaction with 6 steps

1: 1,8-diazabicyclo[5.4.0]undec-7-ene / dimethylformamide / 20 °C

2: Et₃N / dioxane; H₂O / 18 h / 20 °C

3: 87 percent / Ph₃P; diethyl azodicarboxylate / tetrahydrofuran / 2 h / 20 °C

4: 70 percent / LiI; pyridine / 3 h / Heating

5: oxalyl chloride; DMF / CH₂Cl₂ / 0.5 h / 20 °C

6: aq. NH₂OH; Et₃N / tetrahydrofuran; CH₂Cl₂ / 20 °C

With pyridine; oxalyl dichloride; hydroxylamine; 1,8-diazabicyclo[5.4.0]undec-7-ene; triethylamine; N,N-dimethyl-formamide; triphenylphosphine; lithium iodide; diethylazodicarboxylate; In tetrahydrofuran; 1,4-dioxane; dichloromethane; water; N,N-dimethyl-formamide; 1: Alkylation / 2: sulfonylation / 3: Cyclization / 4: demethylation / 5: Chlorination / 6: Acylation;
DOI:10.1021/jm990330y

Reference yield:

: 98-68-0
4-methoxy-phenyl-sulphonyl chloride

: 204129-53-3
(S)-4-(4-Methoxy-benzenesulfonyl)-2,2-dimethyl-[1,4]thiazepane-3-carboxylic acid hydroxyamide

Guidance literature:: Multi-step reaction with 5 steps

1: Et₃N / dioxane; H₂O / 18 h / 20 °C

2: 87 percent / Ph₃P; diethyl azodicarboxylate / tetrahydrofuran / 2 h / 20 °C

3: 70 percent / LiI; pyridine / 3 h / Heating

4: oxalyl chloride; DMF / CH₂Cl₂ / 0.5 h / 20 °C

5: aq. NH₂OH; Et₃N / tetrahydrofuran; CH₂Cl₂ / 20 °C

With pyridine; oxalyl dichloride; hydroxylamine; triethylamine; N,N-dimethyl-formamide; triphenylphosphine; lithium iodide; diethylazodicarboxylate; In tetrahydrofuran; 1,4-dioxane; dichloromethane; water; 1: sulfonylation / 2: Cyclization / 3: demethylation / 4: Chlorination / 5: Acylation;
DOI:10.1021/jm990330y