1-(3-Chlorophenoxy)-3-butyn-2-OL

Base Information

Chemical Name:1-(3-Chlorophenoxy)-3-butyn-2-OL
CAS No.:86912-84-7
Molecular Formula:C10H9ClO2
Molecular Weight:196.63
Hs Code.:2909499000
European Community (EC) Number:677-341-2
DSSTox Substance ID:DTXSID30521854
Mol file:86912-84-7.mol

Synonyms:86912-84-7;1-(3-CHLOROPHENOXY)-3-BUTYN-2-OL;1-(3-chlorophenoxy)but-3-yn-2-ol;SCHEMBL3147390;DTXSID30521854;1-(3-Chlorophenoxy)-3-butyn-2-ol,97%;CS-0456549

Suppliers and Price of 1-(3-Chlorophenoxy)-3-butyn-2-OL

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

American Custom Chemicals Corporation
1-(3-CHLOROPHENOXY)-3-BUTYN-2-OL 95.00%
5MG
$ 503.12

Alfa Aesar
1-(3-Chlorophenoxy)-3-butyn-2-ol, 97%
25g
$ 408.00

Alfa Aesar
1-(3-Chlorophenoxy)-3-butyn-2-ol, 97%
5g
$ 116.00

Alfa Aesar
1-(3-Chlorophenoxy)-3-butyn-2-ol, 97%
1g
$ 40.80

Total 6 raw suppliers

Chemical Property of 1-(3-Chlorophenoxy)-3-butyn-2-OL

Chemical Property:

Vapor Pressure:8.37E-05mmHg at 25°C
Melting Point:36-40°C
Boiling Point:327.1°C at 760 mmHg
Flash Point:151.6°C
PSA：29.46000
Density:1.255g/cm³
LogP:1.71290
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:196.0291072
Heavy Atom Count:13
Complexity:196

Purity/Quality:

99% ^*data from raw suppliers

1-(3-CHLOROPHENOXY)-3-BUTYN-2-OL 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C#CC(COC1=CC(=CC=C1)Cl)O

Technology Process of 1-(3-Chlorophenoxy)-3-butyn-2-OL

There total 4 articles about 1-(3-Chlorophenoxy)-3-butyn-2-OL 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: 85.0%

: 86912-83-6
(3-chlorophenoxy)acetaldehyde

: 4301-14-8
acetylenemagnesium bromide

: 86912-84-7
(+/-)-4-(3-chlorophenoxy)-1-butyne-3-ol

Guidance literature:: In tetrahydrofuran; at 0 - 20 ℃; for 16h;
DOI:10.1002/1615-4169(200201)344:1<50::AID-ADSC50>3.0.CO;2-5

Reference yield:

: 1-Chlorophenoxy-3-butyn-2-ol

: 105-38-4
vinyl propionate

: 86912-84-7
(+/-)-4-(3-chlorophenoxy)-1-butyne-3-ol

Guidance literature:: In n-heptane;

Reference yield:

: 108-43-0
3-monochlorophenol

: 86912-84-7
(+/-)-4-(3-chlorophenoxy)-1-butyne-3-ol

Guidance literature:: Multi-step reaction with 3 steps

1: 73 percent / K₂CO₃ / 1-methyl-pyrrolidin-2-one / 140 - 150 °C

2: 90 percent / aq. H₂SO₄ / tetrahydrofuran / 20 h / Heating

3: 85 percent / tetrahydrofuran / 16 h / 0 - 20 °C

With sulfuric acid; potassium carbonate; In tetrahydrofuran; 1-methyl-pyrrolidin-2-one;
DOI:10.1002/1615-4169(200201)344:1<50::AID-ADSC50>3.0.CO;2-5