The chemical "2-((R)-9-tert-Butoxycarbonylmethyl-8-oxo-2,3,6,7,8,9-hexahydro-1H-5-thia-9-aza-cyclohepta[f]inden-7-ylamino)-4-phenyl-butyric acid ethyl ester" is a complex organic compound with a molecular formula of C31H41NO5S. It is a derivative of butyric acid, featuring a phenyl group at the 4-position and an ethyl ester group at the 2-position. The compound also contains a 9-tert-butoxycarbonylmethyl group, an 8-oxo-2,3,6,7,8,9-hexahydro-1H-5-thia-9-aza-cyclohepta[f]inden-7-yl moiety, and an amino group. This molecule is characterized by its chiral center at the 9-position, indicated by the (R)-configuration. It is a potential pharmaceutical intermediate or a compound of interest in the field of medicinal chemistry, given its intricate structure and functional groups.
98413-45-7
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Basic information
- Product Name: 2-((R)-9-tert-Butoxycarbonylmethyl-8-oxo-2,3,6,7,8,9-hexahydro-1H-5-thia-9-aza-cyclohepta[f]inden-7-ylamino)-4-phenyl-butyric acid ethyl ester
- Synonyms:
- CAS NO:98413-45-7
- Molecular Formula:
- Molecular Weight: 538.708
- 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)-9-tert-Butoxycarbonylmethyl-8-oxo-2,3,6,7,8,9-hexahydro-1H-5-thia-9-aza-cyclohepta[f]inden-7-ylamino)-4-phenyl-butyric acid ethyl ester(CAS DataBase Reference)
- NIST Chemistry Reference: 2-((R)-9-tert-Butoxycarbonylmethyl-8-oxo-2,3,6,7,8,9-hexahydro-1H-5-thia-9-aza-cyclohepta[f]inden-7-ylamino)-4-phenyl-butyric acid ethyl ester(98413-45-7)
- EPA Substance Registry System: 2-((R)-9-tert-Butoxycarbonylmethyl-8-oxo-2,3,6,7,8,9-hexahydro-1H-5-thia-9-aza-cyclohepta[f]inden-7-ylamino)-4-phenyl-butyric acid ethyl ester(98413-45-7)
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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: 98413-45-7(Hazardous Substances Data)
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Check Digit Verification of cas no
The CAS Registry Mumber 98413-45-7 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, 4 and 5 respectively.Calculate Digit Verification of CAS Registry Number 98413-45:
(7*9)+(6*8)+(5*4)+(4*1)+(3*3)+(2*4)+(1*5)=157
157 % 10 = 7
So 98413-45-7 is a valid CAS Registry Number.
98413-45-7Upstream product
- 64920-29-2 2-oxo-4-phenylbutanoic acid ethyl ester
- 98413-31-1 ((R)-7-Amino-8-oxo-2,3,7,8-tetrahydro-1H,6H-5-thia-9-aza-cyclohepta[f]inden-9-yl)-acetic acid tert-butyl ester
- 98413-27-5 [(R)-7-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-8-oxo-2,3,7,8-tetrahydro-1H,6H-5-thia-9-aza-cyclohepta[f]inden-9-yl]-acetic acid tert-butyl ester
- 98413-19-5 (R)-2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-3-(6-nitro-indan-5-ylsulfanyl)-propionic acid
- 98413-23-1 2-((R)-8-Oxo-2,3,6,7,8,9-hexahydro-1H-5-thia-9-aza-cyclohepta[f]inden-7-yl)-isoindole-1,3-dione
- 98413-14-0 (R)-2-Amino-3-(6-nitro-indan-5-ylsulfanyl)-propionic acid
- 52957-66-1 5-amino-6-nitroindane
- 710-11-2 2-oxo-4-phenylbutyric acid
- 2021-28-5 ethyl dihydrocinnamate
98413-45-7Downstream Products
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2-((R)-9-tert-Butoxycarbonylmethyl-8-oxo-2,3,6,7,8,9-hexahydro-1H-5-thia-9-aza-cyclohepta[f]inden-7-ylamino)-4-phenyl-butyric acid ethyl ester
