The chemical "2-((R)-5-tert-Butoxycarbonylmethyl-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-ylamino)-4,4-diphenyl-butyric acid ethyl ester" is a complex organic compound with a molecular formula of C31H37NO5S. It is a derivative of benzo[b][1,4]thiazepine, a heterocyclic compound with a benzene ring fused to a thiazine ring. The molecule features a 4-oxo-tetrahydro-benzo[b][1,4]thiazepin-3-ylamine group, which is substituted with a tert-butoxycarbonylmethyl group at the 5-position. The butyric acid moiety is diphenyl-substituted at the 4-position and is esterified with ethanol to form the ethyl ester. 2-((R)-5-tert-Butoxycarbonylmethyl-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-ylamino)-4,4-diphenyl-butyric acid ethyl ester is likely to be a pharmaceutical intermediate or a precursor in the synthesis of drugs targeting the central nervous system, given its structural complexity and the presence of a benzothiazepine core, which is common in various therapeutic agents.
98413-54-8
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Basic information
- Product Name: 2-((R)-5-tert-Butoxycarbonylmethyl-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-ylamino)-4,4-diphenyl-butyric acid ethyl ester
- Synonyms:
- CAS NO:98413-54-8
- Molecular Formula:
- Molecular Weight: 574.741
- EINECS: N/A
- Product Categories: N/A
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Chemical Properties
- Melting Point: N/A
- Boiling Point: N/A
- Flash Point: N/A
- Appearance: N/A
- Density: N/A
- Refractive Index: N/A
- Storage Temp.: N/A
- Solubility: N/A
- CAS DataBase Reference: 2-((R)-5-tert-Butoxycarbonylmethyl-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-ylamino)-4,4-diphenyl-butyric acid ethyl ester(CAS DataBase Reference)
- NIST Chemistry Reference: 2-((R)-5-tert-Butoxycarbonylmethyl-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-ylamino)-4,4-diphenyl-butyric acid ethyl ester(98413-54-8)
- EPA Substance Registry System: 2-((R)-5-tert-Butoxycarbonylmethyl-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-ylamino)-4,4-diphenyl-butyric acid ethyl ester(98413-54-8)
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Safety Data
- Hazard Codes: N/A
- Statements: N/A
- Safety Statements: N/A
- WGK Germany:
- RTECS:
- HazardClass: N/A
- PackingGroup: N/A
- Hazardous Substances Data: 98413-54-8(Hazardous Substances Data)
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Check Digit Verification of cas no
The CAS Registry Mumber 98413-54-8 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 9,8,4,1 and 3 respectively; the second part has 2 digits, 5 and 4 respectively.Calculate Digit Verification of CAS Registry Number 98413-54:
(7*9)+(6*8)+(5*4)+(4*1)+(3*3)+(2*5)+(1*4)=158
158 % 10 = 8
So 98413-54-8 is a valid CAS Registry Number.
98413-54-8Upstream product
- 98413-33-3 ethyl 2-oxo-4,4-diphenylbutyrate
- 95779-67-2 tert-butyl (R)-3-amino-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-5-acetate
- 95779-65-0 tert-butyl (R)-4-oxo-3-phthalimido-2,3,4,5-tetrahydro-1,5-benzothiazepine-5-acetate
- 7476-18-8 3,3-diphenyl-propionic acid ethyl ester
- 107-59-5 tert-Butyl chloroacetate
- 100236-26-8 (2R)-3-(2-Aminophenylthio)-2-phthalimidopropionsaeure
- 95779-64-9 (R)-3-phthalimido-2,3-dihydro-1,5(5H)-benzothiazepin-4-one
- 88-74-4 2-nitro-aniline
- 60115-45-9 S-(o-nitrophenyl)-L-cysteine
- 95779-63-8 (R)-3-(2-nitrophenyl)thio-2-phthalimidopropionic acid
98413-54-8Downstream Products
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2-((R)-5-tert-Butoxycarbonylmethyl-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-ylamino)-4,4-diphenyl-butyric acid ethyl ester
