4-Chloro-1-(3-methoxyphenyl)-1-oxobutane

Base Information

Chemical Name:4-Chloro-1-(3-methoxyphenyl)-1-oxobutane
CAS No.:258882-48-3
Molecular Formula:C11H13ClO2
Molecular Weight:212.676
Hs Code.:2914700090
DSSTox Substance ID:DTXSID80444726
Wikidata:Q82262973
Mol file:258882-48-3.mol

Synonyms:4-CHLORO-1-(3-METHOXYPHENYL)-1-OXOBUTANE;258882-48-3;4-chloro-1-(3-methoxyphenyl)butan-1-one;MFCD07700090;SCHEMBL3138472;DTXSID80444726;KQFBLOHOCUJMTC-UHFFFAOYSA-N;AKOS015150701;4-Chloro-1-(3-methoxyphenyl)-butan-1-one

Suppliers and Price of 4-Chloro-1-(3-methoxyphenyl)-1-oxobutane

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

Rieke Metals
4-Chloro-1-(3-methoxyphenyl)-1-oxobutane 97%
1g
$ 366.00

Rieke Metals
4-Chloro-1-(3-methoxyphenyl)-1-oxobutane 97%
2g
$ 580.00

Rieke Metals
4-Chloro-1-(3-methoxyphenyl)-1-oxobutane 97%
5g
$ 1250.00

Matrix Scientific
4-Chloro-1-(3-methoxyphenyl)-1-oxobutane
5g
$ 1165.00

Matrix Scientific
4-Chloro-1-(3-methoxyphenyl)-1-oxobutane
2g
$ 576.00

Matrix Scientific
4-Chloro-1-(3-methoxyphenyl)-1-oxobutane
1g
$ 385.00

Crysdot
4-Chloro-1-(3-methoxyphenyl)-1-oxobutane 95+%
1g
$ 381.00

Crysdot
4-Chloro-1-(3-methoxyphenyl)-1-oxobutane 95+%
5g
$ 1156.00

American Custom Chemicals Corporation
4-CHLORO-1-(3-METHOXYPHENYL)-1-OXOBUTANE 95.00%
10G
$ 3031.88

American Custom Chemicals Corporation
4-CHLORO-1-(3-METHOXYPHENYL)-1-OXOBUTANE 95.00%
5G
$ 1988.91

Total 3 raw suppliers

Chemical Property of 4-Chloro-1-(3-methoxyphenyl)-1-oxobutane

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Boiling Point:323.042°C at 760 mmHg
Flash Point:133.926°C
PSA：26.30000
Density:1.123g/cm³
LogP:2.89690
XLogP3:2.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:212.0604073
Heavy Atom Count:14
Complexity:182

Purity/Quality:

97% ^*data from raw suppliers

4-Chloro-1-(3-methoxyphenyl)-1-oxobutane 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC=CC(=C1)C(=O)CCCCl

Technology Process of 4-Chloro-1-(3-methoxyphenyl)-1-oxobutane

There total 5 articles about 4-Chloro-1-(3-methoxyphenyl)-1-oxobutane 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: 61.0%

: 109-72-8,29786-93-4
n-butyllithium

: 93554-98-4
3-methoxy-α-[(trimethylsilyl)oxy]benzeneacetonitrile

: 109-70-6
1.3-chlorobromopropane

: 258882-48-3
4-chloro-1-(3-methoxyphenyl)-1-butanone

Guidance literature:: n-butyllithium; 3-methoxy-α-[(trimethylsilyl)oxy]benzeneacetonitrile; With diisopropylamine; In tetrahydrofuran; hexane; at -70 ℃; for 0.5h;

1.3-chlorobromopropane; In tetrahydrofuran; hexane; at 20 ℃; for 2h; Further stages.;
DOI:10.1021/jm991138z

Reference yield: 36.0%

: 36282-40-3
(3-methoxyphenyl)magnesium bromide

: 4635-59-0
4-Chlorobutanoyl chloride

: 258882-48-3
4-chloro-1-(3-methoxyphenyl)-1-butanone

Guidance literature:: In tetrahydrofuran; at -20 ℃; for 0.5h;

Reference yield:

: 591-31-1
3-methoxy-benzaldehyde

: 258882-48-3
4-chloro-1-(3-methoxyphenyl)-1-butanone

Guidance literature:: Multi-step reaction with 2 steps

1.1: 69 percent / ZnI₂ / 8 h / 80 °C

2.1: diisopropylamine / tetrahydrofuran; hexane / 0.5 h / -70 °C

2.2: 61 percent / tetrahydrofuran; hexane / 2 h / 20 °C

With diisopropylamine; zinc(II) iodide; In tetrahydrofuran; hexane; 1.1: Addition / 2.1: Metallation / 2.2: Alkylation;
DOI:10.1021/jm991138z