Benzene, 1-methyl-1,2-propadienyl-

Base Information

• Chemical Name: Benzene, 1-methyl-1,2-propadienyl-
• CAS No.: 22433-39-2
• Molecular Formula: C10H10
• Molecular Weight: 130.189
• European Community (EC) Number: 630-733-7
• Nikkaji Number: J595.025B
• Mol file: 22433-39-2.mol

Synonyms:1,2-Butadiene, 3-phenyl-;Benzene,1-methyl-1,2-propadienyl-;3-Phenyl-1,2-butadiene;Benzene, 1-methyl-1,2-propadienyl-;1,2-BUTADIENE,3-PHENYL;IHOYDALOVDQINJ-UHFFFAOYSA-N;(1-Methyl-1,2-propadienyl)benzene #;(1-methylpropa-1,2-dien-1-yl)benzene;benzene, (1-methyl-1,2-propadienyl)-;22433-39-2;InChI=1/C10H10/c1-3-9(2)10-7-5-4-6-8-10/h4-8H,1H2,2H

Chemical Property of Benzene, 1-methyl-1,2-propadienyl-

Chemical Property:

• Vapor Pressure: 0.291mmHg at 25°C
• Boiling Point: 209.5°Cat760mmHg
• Flash Point: 73.4°C
• Density: 0.865g/cm³
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 130.078250319
• Heavy Atom Count: 10
• Complexity: 143

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=C=C)C1=CC=CC=C1

Technology Process of Benzene, 1-methyl-1,2-propadienyl-

There total 39 articles about Benzene, 1-methyl-1,2-propadienyl- 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: 96.0%

(2,2-dibromo-1-methylcyclopropyl)benzene (17343-73-6) → 1-methyl-1-phenylallene (22433-39-2)

Guidance literature:

With ethylmagnesium bromide; In tetrahydrofuran; at 20 ℃; for 0.65h;

DOI:10.1016/S0040-4020(02)00018-2

Reference yield: 95.0%

2-phenyl-3-butyn-2-yl benzoate → 1-methyl-1-phenylallene (22433-39-2) + (E)-2-phenyl-2-butene (768-00-3) + 3-phenyl-1-butyne (4544-28-9,86738-23-0,86783-50-8,109279-81-4) + benzoic acid (65-85-0,8013-63-6)

Guidance literature:

tris(2,2'-bipyridine)nickel(II) tetrafluoroborate; In N,N-dimethyl-formamide; Ambient temperature; electrolysis;

DOI:10.1016/S0040-4039(97)01396-8

Reference yield: 88.0%

(4,4-dibromobut-3-en-2-yl)benzene (77295-70-6) + benzyl-methyl-amine (103-67-3) → 1-methyl-1-phenylallene (22433-39-2) + 1-methyl-1-phenyl-N-benzyl-N-methyl-2-propyn-1-amine (132278-81-0)

Guidance literature:

With N-benzyl-trimethylammonium hydroxide; at 90 - 100 ℃; 3-4 h;

DOI:10.1055/s-1990-27057

upstream raw materials:

4-methoxy-but-2-yne

3-phenylprop-2-ynyl 4-methylbenzenesulfonate

methylmagnesium chloride

1-bromo-3-phenylprop-2-yne

Downstream raw materials:

3-Methyl-3-phenyl-3H-thiophene-2-thione

C₁₁H₈LiS₂^(1-)*Li⁽¹⁺⁾

(E)-N-(3-phenylbut-2-en-1-yl)aniline

3-phenyl-2-(phenylthio)-1,3-butadiene