Allylamine, 2-bromo-N-ethyl-

Base Information

• Chemical Name: Allylamine, 2-bromo-N-ethyl-
• CAS No.: 871-23-8
• Molecular Formula: C5H10BrN
• Molecular Weight: 164.0436
• DSSTox Substance ID: DTXSID60236126
• Nikkaji Number: J75.004B
• Wikidata: Q83118042
• Mol file: 871-23-8.mol

Synonyms:2-Bromo-N-ethylallylamine;2-Bromo-N-ethyl-2-propen-1-amine;N-(2-Bromoallyl)ethylamine;ALLYLAMINE, 2-BROMO-N-ETHYL-;BRN 1740827;871-23-8;2-Propen-1-amine, 2-bromo-N-ethyl-;4-04-00-01092 (Beilstein Handbook Reference);C5H10BrN;SCHEMBL320773;C5-H10-Br-N;DTXSID60236126;N-(2-bromo-2-propenyl)-N-ethylamine;LS-16388

Chemical Property of Allylamine, 2-bromo-N-ethyl-

Chemical Property:

• Vapor Pressure: 1.92mmHg at 25°C
• Refractive Index: 1.476
• Boiling Point: 164.9°C at 760 mmHg
• Flash Point: 53.5°C
• Density: 1.281g/cm³
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 162.99966
• Heavy Atom Count: 7
• Complexity: 61.1

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCNCC(=C)Br

Technology Process of Allylamine, 2-bromo-N-ethyl-

There total 2 articles about Allylamine, 2-bromo-N-ethyl- 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:

ethylamine (75-04-7,85404-22-4) + 2-bromoallyl bromide (513-31-5) → ethyl-(2-bromo-allyl)-amine (871-23-8)

Guidance literature:

With water;

DOI:10.1021/ja01150a145

Reference yield:

→ ethyl-(2-bromo-allyl)-amine (871-23-8)

Guidance literature:

2,3-Br2-Prop-1-en, 1) EtNH2 (Ueberschuss), H2O (Ruehren, R.T., 3h; 1h, siedendes Wasserbad), 2) NaOH (20', R.T.), 3) Extrakt. mit Et2O;

Reference yield:

ethyl-(2-bromo-allyl)-amine (871-23-8) → tert-butyl ethyl(2-phenylallyl)carbamate

Guidance literature:

Multi-step reaction with 2 steps

1: dmap / 16 h / 0 - 25 °C / Inert atmosphere

2: dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; potassium phosphate monohydrate; palladium diacetate / water; ethanol; butan-1-ol / 16 h / 60 °C / Inert atmosphere; Microwave irradiation

With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; dmap; potassium phosphate monohydrate; palladium diacetate; In ethanol; water; butan-1-ol; 2: |Suzuki Coupling;

DOI:10.1021/jm501722s

upstream raw materials:

ethylamine

2-bromoallyl bromide

Downstream raw materials:

1-ethyl-2-methylen-aziridine

N-Ethyl-N-<2-brom-allyl>-ethanolamin

N-(ethyl)propargylamine

2-(Ethyl-2-propinylamino)-ethanol

Refernces