1-(Bromomethyl)-2-ethynylbenzene

Base Information

Chemical Name:1-(Bromomethyl)-2-ethynylbenzene
CAS No.:211508-95-1
Molecular Formula:C9H7 Br
Molecular Weight:195.059
Hs Code.:
DSSTox Substance ID:DTXSID40578692
Nikkaji Number:J1.744.347J
Wikidata:Q82468997
Mol file:211508-95-1.mol

Synonyms:1-(Bromomethyl)-2-ethynylbenzene;211508-95-1;Benzene,1-(bromomethyl)-2-ethynyl-;2-ETHYNYLBENZYL BROMIDE;SCHEMBL4170188;DTXSID40578692;EN300-1911028

Suppliers and Price of 1-(Bromomethyl)-2-ethynylbenzene

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 1 raw suppliers

Chemical Property of 1-(Bromomethyl)-2-ethynylbenzene

Chemical Property:

Boiling Point:246.8±23.0 °C(Predicted)
PSA：0.00000
Density:1.42±0.1 g/cm3(Predicted)
LogP:2.56280
XLogP3:2.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:0
Rotatable Bond Count:2
Exact Mass:193.97311
Heavy Atom Count:10
Complexity:142

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C#CC1=CC=CC=C1CBr

Technology Process of 1-(Bromomethyl)-2-ethynylbenzene

There total 5 articles about 1-(Bromomethyl)-2-ethynylbenzene 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%

: 10602-08-1
2-ethynylbenzyl alcohol

: 211508-95-1
ortho-ethynyl-benzyl bromide

Guidance literature:: With 2,6-dimethylpyridine; carbon tetrabromide; triphenylphosphine; In dichloromethane; for 12h;
DOI:10.1016/j.tet.2003.04.003

Reference yield: 89.0%

: 442904-02-1
{[2-(bromomethyl)phenyl]ethynyl}trimethylsilane

: 211508-95-1
ortho-ethynyl-benzyl bromide

Guidance literature:: With potassium carbonate; In methanol; at 20 ℃; for 1h;
DOI:10.1039/b111045b

Reference yield:

: 5159-41-1
2-iodobenzyl alcohol

: 211508-95-1
ortho-ethynyl-benzyl bromide

Guidance literature:: Multi-step reaction with 3 steps

1: 100 percent / Et₃N; Pd(PPh₃)4 / 5 h / 40 °C

2: 100 percent / K₂CO₃ / methanol / 3 h

3: 93 percent / CBr₄; PPh₃; 2,6-lutidine / CH₂Cl₂ / 12 h

With 2,6-dimethylpyridine; tetrakis(triphenylphosphine) palladium⁽⁰⁾; carbon tetrabromide; potassium carbonate; triethylamine; triphenylphosphine; In methanol; dichloromethane;
DOI:10.1016/j.tet.2003.04.003