2-Benzoxazolecarboxamide

Base Information

• Chemical Name: 2-Benzoxazolecarboxamide
• CAS No.: 3313-38-0
• Molecular Formula: C₈H₆N₂O₂
• Molecular Weight: 162.148
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID20560813
• Wikidata: Q82444415
• Mol file: 3313-38-0.mol

Synonyms:3313-38-0;2-BENZOXAZOLECARBOXAMIDE;1,3-Benzoxazole-2-carboxamide;BENZOOXAZOLE-2-CARBOXYLIC ACID AMIDE;Benzo[d]oxazole-2-carboxamide;benzoxazole carboxamide;SCHEMBL1535700;DTXSID20560813;MFCD09701309;AKOS006332237;SB36643;CS-0340565;EN300-1703157;Z1198221051

Chemical Property of 2-Benzoxazolecarboxamide

Chemical Property:

• Melting Point: 175-177 °C(Solv: benzene (71-43-2))
• Boiling Point: 332.5±25.0 °C(Predicted)
• PKA: 14.47±0.30(Predicted)
• PSA: 69.12000
• Density: 1.371±0.06 g/cm3(Predicted)
• LogP: 1.62700
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 162.042927438
• Heavy Atom Count: 12
• Complexity: 196

Purity/Quality:

97% ^*data from raw suppliers

Benzooxazole-2-carboxylicacidamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=C(O2)C(=O)N

Technology Process of 2-Benzoxazolecarboxamide

There total 2 articles about 2-Benzoxazolecarboxamide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 60.0%

3-chloro-1,4-benzoxazin-2-one (27383-81-9) → 2-benzoxazolecarboxamide (3313-38-0)

Guidance literature:

With ammonia; In tetrahydrofuran; 1.) -30 - -10 deg C, 1 h; 2.) 20 deg C, 1 h;

DOI:10.1016/0223-5234(89)90036-6

Reference yield:

→ 2-benzoxazolecarboxamide (3313-38-0)

Guidance literature:

aus Benzoxazol-2-carbonsaeurechlorid beim Einleiten von Ammoniak in Aether;

upstream raw materials:

3-chloro-1,4-benzoxazin-2-one