1-Tert-butyl-2-methoxymethoxybenzene

Base Information

• Chemical Name: 1-Tert-butyl-2-methoxymethoxybenzene
• CAS No.: 261903-04-2
• Molecular Formula: C12H18O2
• Molecular Weight: 194.274
• DSSTox Substance ID: DTXSID301240810
• Mol file: 261903-04-2.mol

Synonyms:261903-04-2;SCHEMBL1729274;KSPFVLMFHMROSO-UHFFFAOYSA-N;DTXSID301240810;1-tert-butyl-2-methoxymethoxybenzene;AKOS014700320;1-(tert-Butyl)-2-(methoxymethoxy)benzene;1-(1,1-Dimethylethyl)-2-(methoxymethoxy)benzene

Chemical Property of 1-Tert-butyl-2-methoxymethoxybenzene

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 194.130679813
• Heavy Atom Count: 14
• Complexity: 160

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC=CC=C1OCOC

Technology Process of 1-Tert-butyl-2-methoxymethoxybenzene

There total 2 articles about 1-Tert-butyl-2-methoxymethoxybenzene 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: 95.0%

2-tert-Butylphenol (88-18-6) + chloromethyl methyl ether (107-30-2) → 1-(tert-butyl)-2-(methoxymethoxy)benzene (261903-04-2)

Guidance literature:

2-tert-Butylphenol; With sodium hydride; In tetrahydrofuran; mineral oil; at 0 - 20 ℃; for 1h;

chloromethyl methyl ether; at 20 ℃; for 27h;

DOI:10.1016/j.chempr.2020.02.004

Reference yield: 86.0%

2-tert-Butylphenol (88-18-6) + acetyl chloride (75-36-5) → 1-(tert-butyl)-2-(methoxymethoxy)benzene (261903-04-2)

Guidance literature:

2-tert-Butylphenol; With sodium; chloromethyl methyl ether; In tetrahydrofuran; at 0 ℃; for 3h;

acetyl chloride; With Dimethoxymethane; zinc(II) chloride; at 0 ℃; for 1.5h;

Reference yield: 77.5%

Compound 5.5 + chloro(diisopropylamino)(phenyl)phosphine (20684-97-3) + chloro-diphenylphosphine (1079-66-9,74391-44-9) + 1-(tert-butyl)-2-(methoxymethoxy)benzene (261903-04-2) → 3-tert-butyl-2-(methoxymethoxyphenyl)phenylphosphineoxide (765278-81-7) + diisopropylamine hydrochloride (819-79-4)

Guidance literature:

chloro-diphenylphosphine; With diisopropylamine;

1-(tert-butyl)-2-(methoxymethoxy)benzene; With n-butyllithium; In diethyl ether; at 20 ℃; for 12h;

Compound 5.5; chloro(diisopropylamino)(phenyl)phosphine; With hydrogenchloride; Compound 5.2; more than 3 stages;

upstream raw materials:

2-tert-Butylphenol

chloromethyl methyl ether

acetyl chloride

Downstream raw materials:

3-tert-Butyl-2-(methoxymethoxy)phenol

3-(tert-butyl)-2-(methoxymethoxy)benzaldehyde

(2,2'-bis-methoxymethoxy-[1,1']binaphthalenyl-3-yl)-(3-tert-butyl-2-methoxymethoxy-phenyl)-methanol

3-tert-butyl-2-hydroxybenzaldehyde