(3-Chloro-3-methylbut-1-yn-1-yl)benzene

Base Information

Chemical Name:(3-Chloro-3-methylbut-1-yn-1-yl)benzene
CAS No.:3355-29-1
Molecular Formula:C11H11Cl
Molecular Weight:178.661
Hs Code.:
DSSTox Substance ID:DTXSID10504266
Wikidata:Q82358631

Synonyms:3355-29-1;(3-Chloro-3-methylbut-1-yn-1-yl)benzene;DTXSID10504266;(3-Chloro-3-methyl-but-1-ynyl)-benzene

Suppliers and Price of (3-Chloro-3-methylbut-1-yn-1-yl)benzene

Supply Marketing:

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

Manufacturers and distributors:

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Total 0 raw suppliers

Chemical Property of (3-Chloro-3-methylbut-1-yn-1-yl)benzene

Chemical Property:

XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:0
Rotatable Bond Count:1
Exact Mass:178.0549280
Heavy Atom Count:12
Complexity:198

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C#CC1=CC=CC=C1)Cl

Technology Process of (3-Chloro-3-methylbut-1-yn-1-yl)benzene

There total 6 articles about (3-Chloro-3-methylbut-1-yn-1-yl)benzene 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: 88.0%

: 1719-19-3
2-Methyl-4-phenyl-3-butyn-2-ol

: 3355-29-1
1,1-dimethyl-3-phenylprop-2-ynyl chloride

Guidance literature:: With hydrogenchloride; In dichloromethane; for 3h;
DOI:10.1039/c7ta04259k

Reference yield:

: 536-74-3
phenylacetylene

: 3355-29-1
1,1-dimethyl-3-phenylprop-2-ynyl chloride

Guidance literature:: Multi-step reaction with 2 steps

1: (i) Et₂O, (ii) /BRN= 635680/

2: aq. HCl, CaCl₂ / CuCl, Cu

With hydrogenchloride; calcium chloride; copper; copper(l) chloride;
DOI:10.1021/ja01022a029

Reference yield:

: 100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6
styrene

: 3355-29-1
1,1-dimethyl-3-phenylprop-2-ynyl chloride

Guidance literature:: Multi-step reaction with 4 steps

1: Br₂ / diethyl ether / 2 h / -10 °C

2: 70 percent / KOH / H₂O; diethyl ether / 180 - 220 °C

3: 1.) MeI, Li / 1.) Et₂O, 20 deg C, 1 h; 2.) 20 deg C, 12 h

4: 85 percent / CaCl₂, CuCl, Cu, 12N HCl / diethyl ether; petroleum ether / 1 h / 5 °C

With hydrogenchloride; potassium hydroxide; bromine; lithium; copper; copper(l) chloride; calcium chloride; methyl iodide; In diethyl ether; water; Petroleum ether;