12348
(R)-1,4-Benzodioxane-2-carboxylic acid
≥97.0% (sum of enantiomers, GC)
Synonym(s):
(R)-2,3-Dihydro-1,4-benzodioxin-2-carboxylic acid
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About This Item
Empirical Formula (Hill Notation):
C9H8O4
CAS Number:
Molecular Weight:
180.16
Beilstein:
5742837
MDL number:
UNSPSC Code:
12352005
PubChem Substance ID:
NACRES:
NA.22
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Assay
≥97.0% (sum of enantiomers, GC)
form
solid
optical activity
[α]20/D +83±2°, c = 1.5% in chloroform
optical purity
enantiomeric ratio: ≥99.0:1.0
mp
96-99 °C
SMILES string
OC(=O)[C@H]1COc2ccccc2O1
InChI
1S/C9H8O4/c10-9(11)8-5-12-6-3-1-2-4-7(6)13-8/h1-4,8H,5H2,(H,10,11)/t8-/m1/s1
InChI key
HMBHAQMOBKLWRX-MRVPVSSYSA-N
Application
(R)-1,4-Benzodioxane-2-carboxylic acid is a chiral synthon mostly used in the preparation of doxazosin mesylate, a drug treating benign prostatic hyperplasia.[1]
Packaging
Bottomless glass bottle. Contents are inside inserted fused cone.
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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Characterization of an Indole-3-Acetamide Hydrolase from Alcaligenes faecalis subsp. parafaecalis and Its Application in Efficient Preparation of Both Enantiomers of Chiral Building Block 2, 3-Dihydro-1, 4-Benzodioxin-2-Carboxylic Acid.
Mishra P, et al.
PLoS ONE, 11(7), e0159009-e0159009 (2016)
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