Benzoxazole, 2-(diethylamino)-

Base Information

• Chemical Name: Benzoxazole, 2-(diethylamino)-
• CAS No.: 20852-38-4
• Molecular Formula: C11H14N2O
• Molecular Weight: 190.245
• Hs Code.: 2934999090
• NSC Number: 114989
• DSSTox Substance ID: DTXSID20297258
• Nikkaji Number: J103.867B
• Wikidata: Q82038271
• Mol file: 20852-38-4.mol

Synonyms:Benzoxazole, 2-(diethylamino)-;20852-38-4;N,N-Diethyl-1,3-benzoxazol-2-amine;2-Benzoxazolamine, N,N-diethyl-;NSC114989;2-Benzoxazolamine,N-diethyl-;N,N-diethylbenzoxazol-2-amine;SCHEMBL8898712;DTXSID20297258;LQGJLZVVRFSUBM-UHFFFAOYSA-N;NSC-114989;N,N-Diethyl-1,3-benzoxazol-2-amine #

Chemical Property of Benzoxazole, 2-(diethylamino)-

Chemical Property:

• Vapor Pressure: 0.00754mmHg at 25°C
• Boiling Point: 268.8°Cat760mmHg
• Flash Point: 116.3°C
• PSA: 29.27000
• Density: 1.115g/cm³
• LogP: 2.67400
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 190.110613074
• Heavy Atom Count: 14
• Complexity: 182

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCN(CC)C1=NC2=CC=CC=C2O1

Technology Process of Benzoxazole, 2-(diethylamino)-

There total 24 articles about Benzoxazole, 2-(diethylamino)- 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: 96.0%

2-chloro-1,3-benzoxazole (615-18-9) + triethylamine (121-44-8) → N,N-diethylbenzoxazol-2-amine (20852-38-4)

Guidance literature:

at 100 ℃; for 96h; under 6000480 Torr;

DOI:10.1039/c39910000306

Reference yield: 95.0%

benzoxazole (273-53-0,29791-96-6) + diethylamine (109-89-7) → N,N-diethylbenzoxazol-2-amine (20852-38-4)

Guidance literature:

With tert.-butylhydroperoxide; iodine; acetic acid; In water; at 20 ℃; for 12h;

DOI:10.1021/jo201402a

Reference yield: 89.0%

N,N-diethyl-N'-(2-hydroxyphenyl)formamidine (1383437-51-1) → N,N-diethylbenzoxazol-2-amine (20852-38-4)

Guidance literature:

With carbon tetrabromide; In acetonitrile; at 20 ℃; for 1h; Irradiation;

DOI:10.1039/c3ra46314a

upstream raw materials:

2-chloro-1,3-benzoxazole

triethylamine

benzoxazole

diethylamine

Refernces

• 1、 Cao, Ke,Wang, Jia-Ling,Wang, Lin-Hui. "Practical approach for synthesis of 2-amino-benzoxazole in water". . p. 1471 - 1475. Retrieved 2015.
• 2、 Pattarawarapan, Mookda,Yamano, Dolnapa,Wiriya, Nitaya,Phakhodee, Wong. "Metal-Free Synthesis of 2-N,N-Dialkylaminobenzoxazoles Using Tertiary Amines as the Nitrogen Source". . p. 6516 - 6523. Retrieved 2019.
• 3、 Dilman, Alexander D.,Frumkin, Alexander E.,Levin, Vitalij V.,Lipilin, Dmitry L.,Tyurin, Alexey Yu.. "Photoredox catalyzed dealkylative aromatic halogen substitution with tertiary amines". . . Retrieved 2021/06/18.
• 4、 Pattarawarapan, Mookda,Wiriya, Nittaya,Yimklan, Saranphong,Wangngae, Sirilak,Phakhodee, Wong. "Zwitterionic Ring-Opened Oxyphosphonium Species from the Ph3P-I2 Mediated Reactions of Benzo[ d]oxazol-2(3 H)-ones with Secondary Amines". . p. 6151 - 6158. Retrieved 2020/05/20.