1-Bromohexahydro-2H-azepin-2-one

Base Information

• Chemical Name: 1-Bromohexahydro-2H-azepin-2-one
• CAS No.: 2439-83-0
• Molecular Formula: C6H10 Br N O
• Molecular Weight: 192.055
• Hs Code.: 2933790090
• European Community (EC) Number: 219-466-3
• DSSTox Substance ID: DTXSID90947258
• Nikkaji Number: J216.080C
• Wikidata: Q82925008
• Mol file: 2439-83-0.mol

Synonyms:1-bromoazepan-2-one;2439-83-0;N-Bromocaprolactam;1-Bromohexahydro-2H-azepin-2-one;EINECS 219-466-3;N-BROMOACETAMIDO-N'-TERT-BOC-AMIDO-DPEG 3-DIAMINE;C6H10BrNO;N-Bromo-epsilon-caprolactam;N-bromo-caprolactam;N-Bromo-?-caprolactam;N-Bromo-6-hexanolactone;SCHEMBL926389;N-Bromo- epsilon -caprolactam;DTXSID90947258;1-Bromohexahydro-2H-azepine-2-one;2H-Azepin-2-one, 1-bromohexahydro-;AKOS005208085;FT-0607532;J-015497

Chemical Property of 1-Bromohexahydro-2H-azepin-2-one

Chemical Property:

• Vapor Pressure: 0.111mmHg at 25°C
• Melting Point: 64-65°C
• Boiling Point: 220.9°Cat760mmHg
• PKA: -1.85±0.20(Predicted)
• Flash Point: 87.4°C
• PSA: 20.31000
• Density: 1.522g/cm³
• LogP: 1.63680
• Sensitive.: Moisture Sensitive
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 190.99458
• Heavy Atom Count: 9
• Complexity: 116

Purity/Quality:

99% ^*data from raw suppliers

N-BROMOCAPROLACTAM 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: R36/37/38:Irritating to eyes, respiratory system and skin.
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(=O)N(CC1)Br

Technology Process of 1-Bromohexahydro-2H-azepin-2-one

There total 2 articles about 1-Bromohexahydro-2H-azepin-2-one 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: 84.0%

caprolactam (105-60-2,9012-16-2) → N-Bromo-ε-caprolaktam (2439-83-0)

Guidance literature:

With lead(IV) acetate; zinc dibromide; In acetonitrile; at 20 ℃; for 1h;

DOI:10.1055/s-2006-926224

Reference yield:

→ N-Bromo-ε-caprolaktam (2439-83-0)

Guidance literature:

Caprolactam, Kaliumhypobromit-Lsg., 0grad;

upstream raw materials:

caprolactam

Refernces

• 1、 Kajigaeshi, Shoji,Nakagawa, Takashi,Fujisaki, Shizuo,Nishida, Akiko. "A Practical Synthesis of N-Bromo Imides by Use of Sodium Bromite". . p. 769 - 770. Retrieved 2007/10/02.