1-(2,5-Dichlorophenyl)ethanol

Base Information

• Chemical Name: 1-(2,5-Dichlorophenyl)ethanol
• CAS No.: 1475-12-3
• Molecular Formula: C8H8 Cl2 O
• Molecular Weight: 191.057
• Hs Code.: 2906299090
• European Community (EC) Number: 216-018-9
• NSC Number: 157362
• DSSTox Substance ID: DTXSID301289016
• Nikkaji Number: J206.680G
• Mol file: 1475-12-3.mol

Synonyms:1-(2,5-Dichlorophenyl)ethanol;1475-12-3;2,5-Dichlorophenyl ethanol;2,5-Dichloro-alpha-methylbenzyl alcohol;1-(2,5-dichlorophenyl)ethan-1-ol;EINECS 216-018-9;MFCD00021861;NSC 157362;2,5-Dichloro-alpha-methylbenzenemethanol;2,5-Dichlorophenylmethylcarbinol;NSC157362;C(C)(O)c1cc(Cl)ccc1Cl;SCHEMBL1125463;DTXSID301289016;1-(2,5-dichloro-phenyl) ethanol;2,5-Dichlorophenyl methyl carbinol;BAA47512;AKOS000249163;AKOS016050389;AC-7198;CS-W010736;NSC-157362;AS-31294;SY005061;2,5-Dichloro-.alpha.-methylbenzyl alcohol;Benzenemethanol, 2,5-dichloro-alpha-methyl-;FT-0605490;EN300-49770;Benzenemethanol, 2,5-dichloro-.alpha.-methyl-;Z335244918

Chemical Property of 1-(2,5-Dichlorophenyl)ethanol

Chemical Property:

• Vapor Pressure: 0.00725mmHg at 25°C
• Melting Point: 56-59oC
• Refractive Index: 1.5300 (589.3 nm 25℃)
• Boiling Point: 257.9°Cat760mmHg
• Flash Point: 112.1°C
• PSA: 20.23000
• Density: 1.323g/cm³
• LogP: 3.04670
• Storage Temp.: 2-8°C
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 189.9952203
• Heavy Atom Count: 11
• Complexity: 129

Purity/Quality:

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

1-(2,5-Dichlorophenyl)ethanol ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(2,5-Dichlorophenyl)ethanol

There total 8 articles about 1-(2,5-Dichlorophenyl)ethanol 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: 99.0%

2,5-dichloroacetophenone (2476-37-1) → 1-(2,5-dichlorophenyl)ethanol (1475-12-3)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 0 ℃; for 3h;

DOI:10.1039/c4dt00062e

Reference yield:

(2,5-dichlorophenyl)acetylene (38417-89-9) → 1-(2,5-dichlorophenyl)ethanol (1475-12-3)

Guidance literature:

Multi-step reaction with 2 steps

1: trifluorormethanesulfonic acid; water / 2,2,2-trifluoroethanol / 12 h / 70 °C / Inert atmosphere

2: sodium tetrahydroborate; methanol / 20 °C

With methanol; sodium tetrahydroborate; trifluorormethanesulfonic acid; water; In 2,2,2-trifluoroethanol;

DOI:10.1021/acs.orglett.8b00034

Reference yield:

2,5-dichloro-benzaldehyde (6361-23-5) + methylmagnesium bromide (75-16-1) → 1-(2,5-dichlorophenyl)ethanol (1475-12-3)

Guidance literature:

With diethyl ether;

DOI:10.1021/ja01236a026

upstream raw materials:

2,5-dichloro-benzaldehyde

methylmagnesium bromide

2,5-dichloroacetophenone

sodium methylate

Downstream raw materials:

2,5-dichlorostyrene

3-(6-amino-5-(1-(2,5-dichlorophenyl)ethoxy)pyridin-3-yl)-5,6,7,8-tetrahydro-1,6-naphthyridin-8-ol

N, N-bis(tert-butoxycarbonyl)-3-(1-(2,5-dichlorophenyl)ethoxy)-5-(6-trityl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-3-yl)pyridin-2-amine

3-(6-(bis(tert-butoxycarbonyl)amino)-5-(1-(2,5-dichlorophenyl)ethoxy)pyridin-3-yl)-6-(tert-butoxycarbonyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-8-ol

Refernces

• 1、 Yap, Jeanette See Leng,Li, Bin Bin,Wong, Jonathan,Li, Yongxin,Pullarkat, Sumod A.,Leung, Pak-Hing. "Development of a novel chiral palladacycle and its application in asymmetric hydrophosphination reaction". . p. 5777 - 5784. Retrieved 2014/04/03.