(4R)-Tetrahydro-7,7-dimethyl-6-oxo-3H-1,2,5-dithiazepine-4-carboxylic acid

Base Information

Chemical Name:(4R)-Tetrahydro-7,7-dimethyl-6-oxo-3H-1,2,5-dithiazepine-4-carboxylic acid
CAS No.:82017-48-9
Molecular Formula:C7H11NO3S2
Molecular Weight:221.2971
Hs Code.:
Nikkaji Number:J413.576H
Wikidata:Q76423003
Mol file:82017-48-9.mol

Synonyms:bucillamine disulfide;SA 981;SA-981;SA981 cpd

Suppliers and Price of (4R)-Tetrahydro-7,7-dimethyl-6-oxo-3H-1,2,5-dithiazepine-4-carboxylic acid

Supply Marketing:

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

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Chemical Property of (4R)-Tetrahydro-7,7-dimethyl-6-oxo-3H-1,2,5-dithiazepine-4-carboxylic acid

Chemical Property:

Vapor Pressure:8.07E-11mmHg at 25°C
Boiling Point:487°Cat760mmHg
Flash Point:248.3°C
Density:1.33g/cm³
XLogP3:0.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:221.01803556
Heavy Atom Count:13
Complexity:242

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1(C(=O)NC(CSS1)C(=O)O)C
Isomeric SMILES:CC1(C(=O)N[C@@H](CSS1)C(=O)O)C

Technology Process of (4R)-Tetrahydro-7,7-dimethyl-6-oxo-3H-1,2,5-dithiazepine-4-carboxylic acid

There total 2 articles about (4R)-Tetrahydro-7,7-dimethyl-6-oxo-3H-1,2,5-dithiazepine-4-carboxylic acid 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: 46.0%

: 65002-17-7,130999-92-7,130999-94-9
N-(2-mercapto-2-methylpropionyl)-L-cysteine

: 82017-48-9
(4R)-tetrahydro-7,7-dimethyl-6-oxo-3H-1,2,5-dithiazepine-4-carboxylic acid

Guidance literature:: With Diethyl 2-bromomalonate; triethylamine; In dichloromethane; at -16 ℃; for 2.16667h;

Reference yield:

: copper(ll) sulfate pentahydrate

: 65002-17-7
bucillamine

: 82017-48-9
(4R)-tetrahydro-7,7-dimethyl-6-oxo-3H-1,2,5-dithiazepine-4-carboxylic acid

Guidance literature:

Reference yield:

: 82017-48-9
(4R)-tetrahydro-7,7-dimethyl-6-oxo-3H-1,2,5-dithiazepine-4-carboxylic acid

: 14226-94-9
6,6-dimethyl-5-oxo-thiomorpholine-3-carboxylic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 91.7 percent / HCl, AcOEt / methanol / 0.08 h / 10 - 20 °C

2: 13.8 percent / tris(diethylamino)phosphine / tetrahydrofuran / 2 h / 52 - 54 °C

3: 68.2 percent / 1 N aq. NaOH / methanol / 4 h

With hydrogenchloride; sodium hydroxide; ethyl acetate; hexaethylphosphoric triamide; In tetrahydrofuran; methanol;
DOI:10.1248/cpb.41.1066