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CAS Number: 136663-21-3
methyl 2-methylbenzo[d]oxazole-5-carboxylate

Structure

 methyl 2-methylbenzo[d]oxazole-5-carboxylate
Name: methyl 2-methylbenzo[d]oxazole-5-carboxylate
Synonyms:
General Information
Product Number: 136663213

CAS Registry Number 136663-21-3
Name:
5-?Benzoxazolecarboxyli?c acid, 2-?methyl-?, methyl ester
Methyl 2-methyl-5-benzoxazolecarboxylate
Methyl 2-methylbenzo[d]oxazole-5-carboxylate

 

Chemical Formula: C10H9NO3
Exact Mass: 191.06
Molecular Weight: 191.18
m/z: 191.06 (100.0%), 192.06 (11.4%), 193.06 (1.2%)

 

InChI:InChI=1S/C10H9NO3/c1-6-11-8-5-7(10(12)13-2)3-4-9(8)14-6/h3-5H,1-2H3

InChI Key:UFLDNRAXHGPDOD-UHFFFAOYSA-N

Canonical SMILES:CC1=NC2=C(O1)C=CC(=C2)C(=O)OC

 

Thermal Properties Value Condition Note
Boiling Point 160-165 °C Press: 14 Torr (1)CAS
Melting Point 162 °C Solv: methanol (67-56-1) (2)CAS
Melting Point 70-72 °C Solv: methanol (67-56-1) (3)CAS
Melting Point 69 °C Solv: ethanol (64-17-5) (1)CAS
Melting Point 63-64 °C Solv: hexane (110-54-3) (4)CAS

Specification

98%
References
  1. (1) Firestine, John C.; US 2647053 1953 CAPLUS
  2. (2) Reena, M.; Yaoxue Xuebao 2010, V45(6), P730-734 CAPLUS
  3. (3) Patil, Sunila T.; Pharmacia Sinica 2010, V1(2), P105-112 CAPLUS
  4. (4) Nishioka, Hiromi; Heterocycles 2004, V64, P193-198 CAPLUS
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