2-(3-Bromopropoxy)-1,3-dimethylbenzene

Base Information

• Chemical Name: 2-(3-Bromopropoxy)-1,3-dimethylbenzene
• CAS No.: 3245-54-3
• Molecular Formula: C₁₁H₁₅BrO
• Molecular Weight: 243.143
• DSSTox Substance ID: DTXSID201284568
• Nikkaji Number: J346.354K
• Mol file: 3245-54-3.mol

Synonyms:2-(3-bromopropoxy)-1,3-dimethylbenzene;3245-54-3;SCHEMBL10768133;DTXSID201284568;EN300-75689

Chemical Property of 2-(3-Bromopropoxy)-1,3-dimethylbenzene

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 242.03063
• Heavy Atom Count: 13
• Complexity: 128

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)C)OCCCBr

Technology Process of 2-(3-Bromopropoxy)-1,3-dimethylbenzene

There total 4 articles about 2-(3-Bromopropoxy)-1,3-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: 76.0%

→ 2-(3-bromopropyloxy)-2,6-dimethylbenzene (3245-54-3)

Guidance literature:

With sodium hydroxide; In water; for 12h; Reflux;

Reference yield: 58.0%

2.6-dimethylphenol (576-26-1,25134-01-4) + 1,3-dibromo-propane (109-64-8) → 2-(3-bromopropyloxy)-2,6-dimethylbenzene (3245-54-3)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; at 0 - 25 ℃; for 1.5h;

DOI:10.1021/jo400371x

Reference yield:

3-(2,6-dimethyl-phenoxy)-propan-1-ol (857231-77-7) → 2-(3-bromopropyloxy)-2,6-dimethylbenzene (3245-54-3)

Guidance literature:

With phosphorus tribromide;

DOI:10.1021/ja01143a013

upstream raw materials:

3-(2,6-dimethyl-phenoxy)-propan-1-ol

2.6-dimethylphenol

1,3-dibromo-propane

1.3-chlorobromopropane

Downstream raw materials:

(R)-N-[3-(2,6-dimethyl-phenoxy)propyl]-(1-naphthalen-1-ylethyl)-amine hydrochloride salt

(R)-N-[3-(2,6-dimethyl-phenoxy)propyl]-(1-naphthalen-1-ylethyl)-amine

1-[3-(2,6-dimethylphenoxy)propyl]-4-(2-methoxyphenyl)piperazine hydrochloride

C₂₁H₂₇FN₂O