4-tert-Butyl-2-(chloromethyl)-1-methoxybenzene

Base Information

• Chemical Name: 4-tert-Butyl-2-(chloromethyl)-1-methoxybenzene
• CAS No.: 22252-73-9
• Molecular Formula: C12H17ClO
• Molecular Weight: 212.719
• DSSTox Substance ID: DTXSID40497177
• Wikidata: Q82346593
• Mol file: 22252-73-9.mol

Synonyms:22252-73-9;4-tert-Butyl-2-(chloromethyl)-1-methoxybenzene;Benzene, 2-(chloromethyl)-4-(1,1-dimethylethyl)-1-methoxy-;SCHEMBL8864343;DTXSID40497177;ZWEIHAXNAVZWMQ-UHFFFAOYSA-N;2-methoxy-5-tert-butylbenzylchloride

Chemical Property of 4-tert-Butyl-2-(chloromethyl)-1-methoxybenzene

Chemical Property:

• Melting Point: 29 °C
• Boiling Point: 110 °C(Press: 3 Torr)
• PSA: 9.23000
• Density: 1.023±0.06 g/cm3(Predicted)
• LogP: 3.73150
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 212.0967929
• Heavy Atom Count: 14
• Complexity: 174

Purity/Quality:

4-tert-butyl-2-(chloromethyl)-1-methoxybenzene 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC(=C(C=C1)OC)CCl

Technology Process of 4-tert-Butyl-2-(chloromethyl)-1-methoxybenzene

There total 2 articles about 4-tert-Butyl-2-(chloromethyl)-1-methoxybenzene 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:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 1-(tert-butyl)-4-methoxybenzene (5396-38-3) → 2-chloromethyl-4-tert-butylanisole (22252-73-9)

Guidance literature:

With hydrogenchloride;

DOI:10.1021/jo01144a011

Reference yield:

→ 2-chloromethyl-4-tert-butylanisole (22252-73-9)

Guidance literature:

4-tert-Butylanisol, Trioxymethylen, HCl;

Reference yield: 64.9%

2-chloromethyl-4-tert-butylanisole (22252-73-9) + (-)-(2S,3S)-cis-2-(diphenylmethyl)-1-azabicyclo[2.2.2]octane-3-amine (142035-23-2) → (2S,3S)-N-(5-tert-butyl-2-methoxyphenyl)methyl-2-diphenylmethyl-1-azabicyclo[2.2.2]octane-3-amine (147116-67-4)

Guidance literature:

With dmap; caesium carbonate; In 1,4-dioxane; at 80 ℃; for 24h;

upstream raw materials:

formaldehyd

1-(tert-butyl)-4-methoxybenzene

Downstream raw materials:

4-tert-butyl-2-methylanisole

5-tert-butyl-2-methoxybenzaldehyde

4-tert.-Butyl-2-ethylanisol

1,2-Bis(2-methoxy-5-tert-butylphenyl)ethane