4-(2-Bromophenyl)-1-butene

Base Information

• Chemical Name: 4-(2-Bromophenyl)-1-butene
• CAS No.: 71813-50-8
• Molecular Formula: C10H11 Br
• Molecular Weight: 211.101
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID00392932
• Nikkaji Number: J270.456K
• Wikidata: Q82191459
• Mol file: 71813-50-8.mol

Synonyms:4-(2-bromophenyl)-1-butene;71813-50-8;1-bromo-2-but-3-enylbenzene;1-BROMO-2-(BUT-3-ENYL)BENZENE;1-Bromo-2-(3-butenyl)benzene;1-bromo-2-(but-3-en-1-yl)benzene;MFCD01319539;1-bromo-2-but-3-enyl-benzene;o-(3-butenyl)bromobenzene;SCHEMBL5925354;DTXSID00392932;2-(But-3-en-1-yl)bromobenzene;YYTVAFQKTIHSHB-UHFFFAOYSA-N;4-(2-bromophenyl)-1-butene, 95%;AKOS015889074;CS-0322570

Chemical Property of 4-(2-Bromophenyl)-1-butene

Chemical Property:

• Vapor Pressure: 0.0771mmHg at 25°C
• Refractive Index: n20/D 1.5470(lit.)
• Boiling Point: 236-237 °C(lit.)
• Flash Point: 218 °F
• PSA: 0.00000
• Density: 1.270 g/mL at 25 °C(lit.)
• LogP: 3.56770
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 210.00441
• Heavy Atom Count: 11
• Complexity: 120

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-(2-Bromophenyl)-1-butene 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCCC1=CC=CC=C1Br
• Uses: 2-Bromo-1-(3-butenyl)benzene is used in the preparation aryl compounds.

Technology Process of 4-(2-Bromophenyl)-1-butene

There total 10 articles about 4-(2-Bromophenyl)-1-butene 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: 100.0%

magnesium (7439-95-4) + allyl bromide (106-95-6) + 1-Bromo-2-bromomethyl-benzene (3433-80-5) → 1-bromo-2-(but-3-enyl)benzene (71813-50-8)

Guidance literature:

magnesium; allyl bromide; In diethyl ether;

1-Bromo-2-bromomethyl-benzene; In tetrahydrofuran;

Reference yield: 96.0%

allylmagnesium bromide (1730-25-2) + 1-Bromo-2-bromomethyl-benzene (3433-80-5) → 1-bromo-2-(but-3-enyl)benzene (71813-50-8)

Guidance literature:

In tetrahydrofuran; diethyl ether; for 1.5h; Heating;

DOI:10.1016/0040-4020(96)00266-9

Reference yield: 89.0%

allylmagnesium bromide (2622-05-1) + 1-Bromo-2-bromomethyl-benzene (3433-80-5) → 1-bromo-2-(but-3-enyl)benzene (71813-50-8)

Guidance literature:

In tetrahydrofuran;

DOI:10.1021/ja00267a013

upstream raw materials:

allyl bromide

1-Bromo-2-bromomethyl-benzene

allylmagnesium bromide

allylmagnesium bromide

Downstream raw materials:

tetralin

1-methylindane

4-Phenylbut-1-ene

1,2-bis(1-indanyl)ethane

Refernces

• 1、 Barrett,Sanderson,Mahon,Webster. "Hydrophosphination using [GeCl{N(SiMe3)2}3] as a pre-catalyst". supporting information. p. 13623 - 13626. Retrieved 2020/11/17.
• 2、 Zhu, Dianhu,Lv, Leiyang,Li, Chen-Chen,Ung, Sosthene,Gao, Jian,Li, Chao-Jun. "Umpolung of Carbonyl Groups as Alkyl Organometallic Reagent Surrogates for Palladium-Catalyzed Allylic Alkylation". . p. 16520 - 16524. Retrieved 2018/11/23.