4-Chloro-2-methyl-benzene-1,3-diol

Base Information

• Chemical Name: 4-Chloro-2-methyl-benzene-1,3-diol
• CAS No.: 502485-28-1
• Molecular Formula: C7H7ClO2
• Molecular Weight: 158.584
• Hs Code.: 2908199090
• DSSTox Substance ID: DTXSID10458639
• Wikidata: Q82282086
• Mol file: 502485-28-1.mol

Synonyms:4-chloro-2-methyl-benzene-1,3-diol;502485-28-1;4-chloro-2-methylbenzene-1,3-diol;1,3-Benzenediol, 4-chloro-2-methyl-;2-methyl-4-chlororesorcinol;SCHEMBL3790032;DTXSID10458639;RCGOYFRFFZOYIP-UHFFFAOYSA-N;FT-0768405

Chemical Property of 4-Chloro-2-methyl-benzene-1,3-diol

Chemical Property:

• PSA: 40.46000
• LogP: 2.05960
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 158.0134572
• Heavy Atom Count: 10
• Complexity: 118

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1O)Cl)O

Technology Process of 4-Chloro-2-methyl-benzene-1,3-diol

There total 2 articles about 4-Chloro-2-methyl-benzene-1,3-diol 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: 65.0%

N-chloro-succinimide (128-09-6) + 2-methylbenzene-1,3-diol (608-25-3) → Succinimide (123-56-8,89963-74-6) + 2-methyl-4-chlororesorcinol (502485-28-1)

Guidance literature:

In methanol; for 6h;

Reference yield: 65.0%

2-methylbenzene-1,3-diol (608-25-3) → 2-methyl-4-chlororesorcinol (502485-28-1)

Guidance literature:

With N-chloro-succinimide; In methanol; for 6h;

DOI:10.1021/jo702422v

Reference yield: 82.0%

2-methyl-4-chlororesorcinol (502485-28-1) → 4-chloro-6-nitroso-2-methylresorcinol

Guidance literature:

With potassium hydroxide; isopentyl nitrite; In ethanol; water; at 0 - 20 ℃; for 1.5h; Inert atmosphere;

DOI:10.1021/ja4059487

upstream raw materials:

N-chloro-succinimide

2-methylbenzene-1,3-diol