82017-48-9

Basic information

• Product Name: (R)-4,5,6,7-Tetrahydro-7,7-dimethyl-6-oxo-3H-1,2,5-dithiazepine-4-carboxylic acid
• Synonyms: (R)-4,5,6,7-Tetrahydro-7,7-dimethyl-6-oxo-3H-1,2,5-dithiazepine-4-carboxylic acid;SA-981
• CAS NO: 82017-48-9
• Molecular Formula: C7H11NO3S2
• Molecular Weight: 221.2971
• Mol File: 82017-48-9.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 487°Cat760mmHg
• Flash Point: 248.3°C
• Appearance: /
• Density: 1.33g/cm³
• Vapor Pressure: 8.07E-11mmHg at 25°C
• Refractive Index: 1.558
• CAS DataBase Reference: (R)-4,5,6,7-Tetrahydro-7,7-dimethyl-6-oxo-3H-1,2,5-dithiazepine-4-carboxylic acid(CAS DataBase Reference)
• NIST Chemistry Reference: (R)-4,5,6,7-Tetrahydro-7,7-dimethyl-6-oxo-3H-1,2,5-dithiazepine-4-carboxylic acid(82017-48-9)
• EPA Substance Registry System: (R)-4,5,6,7-Tetrahydro-7,7-dimethyl-6-oxo-3H-1,2,5-dithiazepine-4-carboxylic acid(82017-48-9)

Safety Data

• Hazardous Substances Data: 82017-48-9(Hazardous Substances Data)

Usage

InChI:InChI=1/C7H11NO3S2/c1-7(2)6(11)8-4(5(9)10)3-12-13-7/h4H,3H2,1-2H3,(H,8,11)(H,9,10)

Upstream product

• 65002-17-7 bucillamine 
• 65002-17-7 N-(2-mercapto-2-methylpropionyl)-L-cysteine 

Downstream Products

• 14226-94-9 6,6-dimethyl-5-oxo-thiomorpholine-3-carboxylic acid 
• 153893-73-3 6,6-Dimethyl-5-oxo-thiomorpholine-3-carboxylic acid methyl ester 

Relevant articles and documents

Conversion of Thiols into Disulfides with Diethyl Bromomalonate

Reaction of aliphatic, aromatic and heterocyclic thiols (2 and 5a-h) with diethyl bromomalonate (1a) gave the corresponding symmetrical disulfides (3 and 6a-h) in high yields.In the case of L-cysteine (5i), glutathione (5j) or thiamine (5k), the reaction also gave L-cystine (6i), oxidized glutathione (6j) or thiamine disulfide (6k) in high yields regardless of the presence of other functional groups.Dithiols (11) were converted into cyclic disulfides (12) by this method.In particular, N-(2-mercapto-2-methylpropionyl)-L-cysteine (9) was converted into (4R)-tetrahydro-7,7-dimethyl-6-oxo-3H-1,2,5-dithiazepine-4-carboxylic acid (10) (obtained in poor yields by general oxidation methods) in good yields.The intermediate in the reaction was considered to be sulfenyl bromide (8).Keywords-diethyl bromomalonate; thiol; dithiol; disulfide; cyclic disulfide; thiol oxidation; disulfide formation; N-(2-mercapto-2-methylpropionyl)-L-cysteine; (4R)-tetrahydro-7,7-dimethyl-6-oxo-3H-1,2,5-dithiazepine-4-carboxylic acid