2-Bromocyclohept-1-ene-1-carbaldehyde

Base Information

• Chemical Name: 2-Bromocyclohept-1-ene-1-carbaldehyde
• CAS No.: 85236-13-1
• Molecular Formula: C8H11BrO
• Molecular Weight: 203.079
• DSSTox Substance ID: DTXSID80599048
• Nikkaji Number: J1.795.186F
• Mol file: 85236-13-1.mol

Synonyms:85236-13-1;SCHEMBL1541022;DTXSID80599048;KVFGPJNSWLSUAI-UHFFFAOYSA-N;1-bromocycloheptene-2-carboxaldehyde;2-Bromocyclohept-1-ene-1-carbaldehyde;DB-111925

Chemical Property of 2-Bromocyclohept-1-ene-1-carbaldehyde

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 201.99933
• Heavy Atom Count: 10
• Complexity: 161

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(=C(CC1)Br)C=O

Technology Process of 2-Bromocyclohept-1-ene-1-carbaldehyde

There total 1 articles about 2-Bromocyclohept-1-ene-1-carbaldehyde 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:

N-(bromomethylene)-N-methylmethanaminium bromide (24774-61-6) + cycloheptanone (502-42-1) → 2-bromocyclohept-1-ene-1-carbaldehyde (85236-13-1)

Guidance literature:

Multistep reaction; (i) CHCl₃, (ii) H₂O;

Reference yield: 93.0%

2-bromocyclohept-1-ene-1-carbaldehyde (85236-13-1) + 1-Ethynylcyclohexan-1-ol (78-27-3) → 2-[(1-hydroxycyclohexyl)ethynyl]cyclohept-1-ene-1-carbaldehyde

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; diisopropylamine; In tetrahydrofuran; at 0 ℃; Inert atmosphere;

DOI:10.1021/acs.joc.5b01420

Reference yield: 92.0%

2-Phenyl-3-butyn-2-ol (127-66-2) + 2-bromocyclohept-1-ene-1-carbaldehyde (85236-13-1) → 2-(3-hydroxy-3-phenylbut-1-ynyl)cyclohept-1-ene-1-carbaldehyde

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; diisopropylamine; In tetrahydrofuran; at 0 ℃; Inert atmosphere;

DOI:10.1021/acs.joc.5b01420

upstream raw materials:

N-(bromomethylene)-N-methylmethanaminium bromide

cycloheptanone

Downstream raw materials:

2-Phenylethynyl-cyclohept-1-enecarbaldehyde

2-(3'-phenylprop-1'-ynyl)cyclohept-1-ene-1-carbaldehyde

2-(2-formylphenyl)cyclohept-1-enecarbaldehyde

2-methyl-4-phenyl-4,6,7,8,9,10-hexahydrocyclohepta[c]azepin-3(2H)-one