1-Iodo-3-methoxy-2,4-dimethylbenzene

Base Information

• Chemical Name: 1-Iodo-3-methoxy-2,4-dimethylbenzene
• CAS No.: 135630-63-6
• Molecular Formula: C9H11IO
• Molecular Weight: 262.09
• DSSTox Substance ID: DTXSID701288953
• Mol file: 135630-63-6.mol

Synonyms:1-iodo-3-methoxy-2,4-dimethylbenzene;135630-63-6;Benzene, 1-iodo-3-methoxy-2,4-dimethyl-;SCHEMBL15511956;DTXSID701288953;CS-0190508;E93881

Chemical Property of 1-Iodo-3-methoxy-2,4-dimethylbenzene

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 261.98546
• Heavy Atom Count: 11
• Complexity: 127

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C(=C(C=C1)I)C)OC

Technology Process of 1-Iodo-3-methoxy-2,4-dimethylbenzene

There total 4 articles about 1-Iodo-3-methoxy-2,4-dimethylbenzene 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: 74.0%

methanol (67-56-1) + 3-iodo-2,6-dimethylaniline hydrochloride (135630-62-5) → 3-iodo-2,6-dimethylphenyl methyl ether (135630-63-6)

Guidance literature:

3-iodo-2,6-dimethylaniline hydrochloride; With acetic acid; isopentyl nitrite; In 1,4-dioxane; at -5 - 0 ℃; for 2h;

methanol; for 15h; Heating;

DOI:10.1248/cpb.52.1445

Reference yield: 70.0%

bis(acetyloxy)(3-methoxy-2,4-dimethylphenyl)-λ3-iodane + allyl-trimethyl-silane (762-72-1) → 3-iodo-2,6-dimethyl-4-(prop-2-en-1-yl)phenyl(methyl)ether + 3-iodo-2,6-dimethylphenyl methyl ether (135630-63-6)

Guidance literature:

With boron trifluoride diethyl etherate; In dichloromethane; acetonitrile; at -50 ℃; for 2h; Inert atmosphere;

DOI:10.1002/chem.201202049

Reference yield:

1-iodo-2,4-dimethyl-3-nitro-benzene (56404-21-8) → 3-iodo-2,6-dimethylphenyl methyl ether (135630-63-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 1) Fe, 2) HCl

2: 1) isoamyl-ONO

With hydrogenchloride; iron; isopentyl nitrite;

DOI:10.1248/cpb.39.1085

upstream raw materials:

methanol

3-iodo-2,6-dimethylaniline hydrochloride

1-iodo-2,4-dimethyl-3-nitro-benzene

2,6-dimethylnitrobenzene

Downstream raw materials:

6,6'-Bis-[bis-(4-methoxy-phenyl)-phosphinoyl]-3,3'-dimethoxy-2,4,2',4'-tetramethyl-biphenyl

(R)-p-MeO-BIMOP

(RS)-6,6'-bis(diphenylphosphoryl)-3,3'-dimethoxy-2,2',4,4'-tetramethyl-1,1'-biphenyl

(RS)-6,6'-bis(dicyclohexylphosphoryl)-3,3'-dimethoxy-2,2',4,4'-tetramethyl-1,1'-biphenyl