12268
Ethyl benzimidate hydrochloride
≥97.0% (AT)
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About This Item
Linear Formula:
C6H5C(=NH)OCH2CH3 · HCl
CAS Number:
Molecular Weight:
185.65
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
226-248-1
Beilstein/REAXYS Number:
3913195
MDL number:
Product Name
Ethyl benzimidate hydrochloride, ≥97.0% (AT)
InChI key
MODZVIMSNXSQIH-UHFFFAOYSA-N
InChI
1S/C9H11NO.ClH/c1-2-11-9(10)8-6-4-3-5-7-8;/h3-7,10H,2H2,1H3;1H
SMILES string
Cl[H].CCOC(=N)c1ccccc1
assay
≥97.0% (AT)
mp
~125 °C (dec.)
functional group
ether
phenyl
Quality Level
Related Categories
General description
Ethyl benzimidate hydrochloride reacts with (R)-ethyl cysteine hydrochloride in ethanol to yield (4R)-ethyl 2-phenyl-4,5-dihydrothiazole-4-carboxylate. It reacts with D-Penicillamine methyl ester hydrochloride and triethylamine to yield methyl-5,5- dimethyl-2-phenyl-2-thiazoline-4-carboxylate.
Application
Intermediate for synthesis
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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The Synthesis of Substituted Penicillins and Simpler Structural Analogs. III. Phthalimido ?-Lactam-Thiazolidines Derived from Penicillamine.
Sheehan JC, et al.
Journal of the American Chemical Society, 73(9), 4373-4375 (1951)
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The Journal of organic chemistry, 69(13), 4551-4554 (2004-06-19)
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