3-Chloro-4-methoxybenzyl alcohol

Base Information

• Chemical Name: 3-Chloro-4-methoxybenzyl alcohol
• CAS No.: 14503-45-8
• Molecular Formula: C8H9ClO2
• Molecular Weight: 172.611
• Hs Code.: 2909499000
• European Community (EC) Number: 686-927-7
• DSSTox Substance ID: DTXSID10401827
• Nikkaji Number: J632.354E
• Wikidata: Q77569879
• Metabolomics Workbench ID: 103079
• Mol file: 14503-45-8.mol

Synonyms:(3-chloro-4-methoxyphenyl)methanol;14503-45-8;3-Chloro-4-methoxybenzyl alcohol;Benzenemethanol, 3-chloro-4-methoxy-;3-chloroanisylalcohol;3-chloro-p-anisyl alcohol;SCHEMBL2097150;DTXSID10401827;TZHJVLGDHRXGDX-UHFFFAOYSA-N;MFCD04124803;AKOS000346267;3-Chloro-4-methoxybenzyl alcohol, 97%;CS-0194685;FT-0720877;E77954;EN300-120541;1X-0829;A854501;Z385370262

Chemical Property of 3-Chloro-4-methoxybenzyl alcohol

Chemical Property:

• Vapor Pressure: 0.00188mmHg at 25°C
• Refractive Index: 1.548
• Boiling Point: 279.7 °C at 760 mmHg
• PKA: 14.13±0.10(Predicted)
• Flash Point: 123 °C
• PSA: 29.46000
• Density: 1.239 g/cm³
• LogP: 1.84090
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 172.0291072
• Heavy Atom Count: 11
• Complexity: 119

Purity/Quality:

97% ^*data from raw suppliers

(3-Chloro-4-methoxyphenyl)methanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36
• Safety Statements: 26

MSDS Files:

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)CO)Cl

Technology Process of 3-Chloro-4-methoxybenzyl alcohol

There total 6 articles about 3-Chloro-4-methoxybenzyl alcohol 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: 100.0%

methyl 3-chloro-p-anisate (37908-98-8) → 3-chloro-4-methoxybenzyl alcohol (14503-45-8)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran;

Reference yield: 98.0%

3-chloro-4-methoxy benzoic acid (37908-96-6) → 3-chloro-4-methoxybenzyl alcohol (14503-45-8)

Guidance literature:

With borane; In tetrahydrofuran; for 2h; Heating;

DOI:10.1021/jm00393a033

Reference yield: 80.0%

3-chloro-4-methoxy-benzaldehyde (4903-09-7) → 3-chloro-4-methoxybenzyl alcohol (14503-45-8)

Guidance literature:

With whole cell cultures of dichomitus albidofuscus; at 24 ℃; for 96h; Darkness; Microbiological reaction;

DOI:10.1016/j.bioorg.2021.104651

upstream raw materials:

3-chloro-4-methoxy-benzaldehyde

3-chloro-4-methoxy benzoic acid

methyl 3-chloro-p-anisate

3-chloro-4-hydroxybenzoic acid

Downstream raw materials:

3-chloro-4-methoxybenzyl chloride

4-(bromomethyl)-2-chloro-1-methoxybenzene

3-chloro-4-methoxy benzoic acid

3-chloro-4-hydroxybenzoic acid