CAS
20587-30-8 Purity
96%
20587-30-8 Purity
96%
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1H-Indole-2-carboxylicacid,5-(methylsulfonyl)-,methyl ester
CAS
205873-28-5
Catalog Number
ACM205873285
Category
Other Products
Molecular Weight
253.27
Molecular Formula
C11H11NO4S
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- Product Description
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- Synthetic Use
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Specification
Synonyms
Oprea1_836278, ZINC00153778, CID735868, ST5307603, M-4405, 205873-28-5
IUPAC Name
methyl 5-methylsulfonyl-1H-indole-2-carboxylate
SMILES
COC(=O)C1=CC2=C(N1)C=CC(=C2)S(=O)(=O)C
InChI Key
NVOKZHQKGPZQFP-UHFFFAOYSA-N
Boiling Point
508.1ºC at 760mmHg
Melting Point
175-179ºC
Flash Point
261.1ºC
Density
1.395g/cm³
Appearance
off-white to yellow amorphous powder
Exact Mass
253.04100
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
5
H-Bond Donor
1
Safety Description
24/25
Upstream Synthesis Route 1
- 251549-14-1
- 205873-28-5
Reference: [1] Patent: US6673797, 2004, B1, . Location in patent: Page column 46
Upstream Synthesis Route 2
- 67-56-1
- 367501-41-5
- 205873-28-5
Reference: [1] Journal of Medicinal Chemistry, 2005, vol. 48, # 14, p. 4511 - 4525
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