Benzo[D]oxazol-2-ylmethanamine

Base Information

• Chemical Name: Benzo[D]oxazol-2-ylmethanamine
• CAS No.: 101333-98-6
• Molecular Formula: C8H8N2O
• Molecular Weight: 148.164
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID50362842
• Wikidata: Q72439194
• ChEMBL ID: CHEMBL4548022
• Mol file: 101333-98-6.mol

Synonyms:101333-98-6;BENZO[D]OXAZOL-2-YLMETHANAMINE;2-(Aminomethyl)benzoxazole;1,3-benzoxazol-2-ylmethanamine;2-Aminomethyl-benzooxazole;(Benzo[d]oxazol-2-yl)methanamine;2-AMINOMETHYLBENZOXAZOLE;C-Benzooxazol-2-yl-methylamine;2-BENZOXAZOLEMETHANAMINE;Benzo[d]oxazol-2-yl-methanamine;1-(1,3-benzoxazol-2-yl)methanamine;MFCD03990563;benzoxazol-2-ylmethylamine;(1,3-BENZOXAZOL-2-YLMETHYL)AMINE;(Benzo[d]oxazol-2-yl)methanamine hydrochloride;C-Benzooxazol-2-ylmethylamine;benzo[d]oxazol-2-ylmethylamine;SCHEMBL1786789;CHEMBL4548022;DTXSID50362842;(1,3-benzoxazol-2-yl)methanamine;AC2205;STK503592;AKOS000282839;AB16902;CS-11618;SY026571;BB 0240929;CS-0034909;FT-0645694;EN300-100459;W-204632

Chemical Property of Benzo[D]oxazol-2-ylmethanamine

Chemical Property:

• Vapor Pressure: 0.0268mmHg at 25°C
• Melting Point: 120-122 °C
• Refractive Index: 1.637
• Boiling Point: 246.651 °C at 760 mmHg
• PKA: 7.82±0.29(Predicted)
• Flash Point: 102.971 °C
• PSA: 52.05000
• Density: 1.239 g/cm³
• LogP: 1.98680
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 148.063662883
• Heavy Atom Count: 11
• Complexity: 140

Purity/Quality:

98%min ^*data from raw suppliers

2-(Aminomethyl)benzoxazole ^*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)CN

Technology Process of Benzo[D]oxazol-2-ylmethanamine

There total 7 articles about Benzo[D]oxazol-2-ylmethanamine 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: 93.0%

→ (benzo[d]oxazol-2-yl)methanamine (101333-98-6)

Guidance literature:

With caesium carbonate; In water; for 0.166667h; Microwave irradiation;

Reference yield: 89.0%

benzyl N-(1,3-benzoxazol-2-ylmethyl)carbamate (1028436-68-1) → (benzo[d]oxazol-2-yl)methanamine (101333-98-6)

Guidance literature:

With hydrogen; palladium on activated charcoal; In acetic acid; for 1h; atmospheric pressure;

DOI:10.1016/j.bmc.2007.12.032

Reference yield: 78.0%

2-amino-phenol (95-55-6) + glycine (56-40-6,18875-39-3,25718-94-9) → (benzo[d]oxazol-2-yl)methanamine (101333-98-6)

Guidance literature:

In 5,5-dimethyl-1,3-cyclohexadiene; for 2h; Reflux;

DOI:10.1039/c6ra01158f

upstream raw materials:

benzyl N-(1,3-benzoxazol-2-ylmethyl)carbamate

2-(chloromethyl)benzoxazole

2-amino-phenol

glycine

Downstream raw materials:

C₃₄H₃₈N₄O₆

N-(1,3-benzoxazol-2-ylmethyl)-5-(2,6-dimethoxyphenyl)-1,2,4-triazin-3-amine

Refernces

• 1、 -. "SALT INDUCIBLE KINASE INHIBITORS". Page/Page column 75. . Retrieved 2022/02/15.
• 2、 -. "New 1,2,4-triazine derivatives and biological applications thereof". Page/Page column 38-39. . Retrieved 2010/01/29.