2-Iodo-5-methoxyphenol

Base Information

• Chemical Name: 2-Iodo-5-methoxyphenol
• CAS No.: 41046-70-2
• Molecular Formula: C7H7IO2
• Molecular Weight: 250.036
• Hs Code.: 2909500000
• European Community (EC) Number: 689-454-4
• DSSTox Substance ID: DTXSID40465154
• Nikkaji Number: J650.026I
• Wikidata: Q82290892
• Mol file: 41046-70-2.mol

Synonyms:2-IODO-5-METHOXYPHENOL;41046-70-2;MFCD12963849;2-iodo-5-methoxy-phenol;Phenol, 2-iodo-5-methoxy-;SCHEMBL2083515;2-Iodo-5-methoxyphenol, 97%;DTXSID40465154;UEKVFLARUBVPKA-UHFFFAOYSA-N;AKOS016007929;CS-W021705;DS-4426;MB12203;SY114629;C75085;A873164

Chemical Property of 2-Iodo-5-methoxyphenol

Chemical Property:

• Melting Point: 70-75°C
• PSA: 29.46000
• LogP: 2.00540
• Storage Temp.: 2-8°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 249.94908
• Heavy Atom Count: 10
• Complexity: 108

Purity/Quality:

98% ^*data from raw suppliers

2-Iodo-5-methoxyphenol 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-37/38-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1)I)O

Technology Process of 2-Iodo-5-methoxyphenol

There total 6 articles about 2-Iodo-5-methoxyphenol 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%

O-methylresorcine (150-19-6) → 2-iodo-5-methoxyphenol (41046-70-2)

Guidance literature:

With ammonium cerium(IV) nitrate; iodine; at 20 ℃; for 3h;

DOI:10.1016/j.tetlet.2006.11.009

Reference yield: 55.0%

O-methylresorcine (150-19-6) + pyrographite (7440-44-0) → 2-iodo-5-methoxyphenol (41046-70-2)

Guidance literature:

With NaH; In methanol; iodine; methyl cyclohexane; toluene;

Reference yield:

1-methoxy-3-(methoxymethoxy)benzene (57234-28-3) → 2-iodo-5-methoxyphenol (41046-70-2)

Guidance literature:

Multi-step reaction with 2 steps

1: BuLi; I₂ / diethyl ether

2: TMSCl; NaI / acetonitrile

With n-butyllithium; chloro-trimethyl-silane; iodine; sodium iodide; In diethyl ether; acetonitrile;

DOI:10.1016/S0040-4039(01)01191-1

upstream raw materials:

O-methylresorcine

1-iodo-4-methoxy-2-(methoxymethoxy)-benzene

1-methoxy-3-(methoxymethoxy)benzene

pyrographite

Downstream raw materials:

Benzoic acid 2-iodo-5-methoxy-phenyl ester

O-methylresorcine

6-methoxy-2-(4-methoxyphenyl)-3-(3,4,5-trimethoxybenzoyl)benzo[b]furan

2-benzyloxy-1-(3-hydroxy-3-methylbutynyl)-4-methoxybenzene

Refernces

• 1、 He, Jun,Xue, Yuhang,Han, Bo,Zhang, Chunzhu,Wang, You,Zhu, Shaolin. "Nickel-Catalyzed Asymmetric Reductive 1,2-Carboamination of Unactivated Alkenes". supporting information. p. 2328 - 2332. Retrieved 2020/01/08.
• 2、 Quan, Yang Ping,Cheng, Li Ping,Wang, Tian Chi,Pang, Wan,Wu, Fan Hong,Huang, Jin Wen. "Molecular modeling study, synthesis and biological evaluation of combretastatin A-4 analogues as anticancer agents and tubulin inhibitors". . p. 316 - 327. Retrieved 2018/03/08.