1-(3-Bromopropoxy)-3,5-dimethylbenzene

Base Information

• Chemical Name: 1-(3-Bromopropoxy)-3,5-dimethylbenzene
• CAS No.: 3245-53-2
• Molecular Formula: C11H15 Br O
• Molecular Weight: 243.143
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID10407147
• Mol file: 3245-53-2.mol

Synonyms:1-(3-bromopropoxy)-3,5-dimethylbenzene;3245-53-2;SCHEMBL15464534;DTXSID10407147;FGTRKEKWAVDNIK-UHFFFAOYSA-N;AKOS000343438;Piperidine-1,3-diylbis(phenylmethanone);1-bromo-3-(3,5-dimethylphenoxy)propane;CS-0234092;EN300-13868

Chemical Property of 1-(3-Bromopropoxy)-3,5-dimethylbenzene

Chemical Property:

• Vapor Pressure: 0.000881mmHg at 25°C
• Boiling Point: 314°Cat760mmHg
• Flash Point: 123.8°C
• PSA: 9.23000
• Density: 1.265g/cm³
• LogP: 3.46720
• XLogP3: 3.7
• 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:

98.5% ^*data from raw suppliers

1-(3-BROMOPROPOXY)-3,5-DIMETHYLBENZENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(3-Bromopropoxy)-3,5-dimethylbenzene

There total 1 articles about 1-(3-Bromopropoxy)-3,5-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: 94.0%

1,3-dibromo-propane (109-64-8) + 3,5-Dimethylphenol (108-68-9,50356-23-5) → 3-bromo-1-(3,5-dimethylphenoxy)propane (3245-53-2)

Guidance literature:

With potassium carbonate; In acetone; at 70 ℃;

DOI:10.1039/c8cc04542a

Reference yield: 95.0%

3-bromo-1-(3,5-dimethylphenoxy)propane (3245-53-2) + potassium phtalimide (1074-82-4) → 2-(3-(3,5-dimethylphenoxy)propyl)isoindoline-1,3-dione

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 40 ℃;

DOI:10.1039/c8cc04542a

Reference yield: 91.0%

3-bromo-1-(3,5-dimethylphenoxy)propane (3245-53-2) + 4-cyanophenol (767-00-0) → C18H19NO2

Guidance literature:

With potassium carbonate; In acetonitrile; at 90 ℃; for 12h;

DOI:10.1039/c5cc01301a

upstream raw materials:

1,3-dibromo-propane

3,5-Dimethylphenol

Downstream raw materials:

N-<2-(2-Methoxy-phenoxy)-aethyl>-3-(3,5-dimethyl-phenoxy)-propylamin

3-{3,5-bis-[3-(3,5-dimethyl-phenoxy)-propoxy]-phenoxy}-propan-1-ol

5-(4-bromo-3,5-dimethylphenoxy)-2,2-dimethylpentanenitrile

ethyl 3-((4’-((4-cyano-4-methylpentyl)oxy)-2’,6’-dimethyl-[1,1’-biphenyl]-3-yl)methoxy)-5,5a,6,6a-tetrahydrocyclopropa[4,5]cyclopenta[1,2-c]pyridine-6-carboxylate

Refernces

• 1、 Zhou, Xiaotian,Lin, Kuaile,Ma, Xiang,Chui, Wai-Keung,Zhou, Weicheng. "Design, synthesis, docking studies and biological evaluation of novel dihydro-1,3,5-triazines as human DHFR inhibitors". . p. 1279 - 1288. Retrieved 2016/11/29.
• 2、 -. "ANTIDIABETIC TRICYCLIC COMPOUNDS". Page/Page column 168. . Retrieved 2014/02/16.