1-(3-Bromopropoxy)-3-chlorobenzene

Base Information

• Chemical Name: 1-(3-Bromopropoxy)-3-chlorobenzene
• CAS No.: 37142-46-4
• Molecular Formula: C9H10 Br Cl O
• Molecular Weight: 249.535
• Hs Code.: 29093038
• European Community (EC) Number: 829-508-8
• DSSTox Substance ID: DTXSID60370579
• Wikidata: Q82157709
• Mol file: 37142-46-4.mol

Synonyms:1-(3-bromopropoxy)-3-chlorobenzene;37142-46-4;MFCD00596672;SCHEMBL2963485;DTXSID60370579;MVKLHPFBHSJVLA-UHFFFAOYSA-N;3-bromopropyl 3-chlorophenyl ether;AKOS003658227;BB 0220210;CS-0216525;EN300-49996;A858082

Chemical Property of 1-(3-Bromopropoxy)-3-chlorobenzene

Chemical Property:

• Vapor Pressure: 0.00166mmHg at 25°C
• Refractive Index: 1.557-1.559
• Boiling Point: 303.5°Cat760mmHg
• Flash Point: 137.4°C
• PSA: 9.23000
• Density: 1.454g/cm³
• LogP: 3.50380
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 247.96036
• Heavy Atom Count: 12
• Complexity: 121

Purity/Quality:

98%min ^*data from raw suppliers

1-(3-Bromopropoxy)-3-chlorobenzene ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn,Xi
• Statements: 36/37/38-20/22
• Safety Statements: 37/39-26-23

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)Cl)OCCCBr

Technology Process of 1-(3-Bromopropoxy)-3-chlorobenzene

There total 1 articles about 1-(3-Bromopropoxy)-3-chlorobenzene 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: 68.7%

3-monochlorophenol (108-43-0) + 1,3-dibromo-propane (109-64-8) → 1-(3-bromopropoxy)-3-chlorobenzene (37142-46-4)

Guidance literature:

With potassium carbonate; In acetonitrile; at 80 ℃; for 24h;

Reference yield: 89.0%

1-(3-bromopropoxy)-3-chlorobenzene (37142-46-4) + Propyl-[3-(toluene-4-sulfonyl)-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-yl]-amine (851727-83-8) → [3-(3-Chloro-phenoxy)-propyl]-propyl-[3-(toluene-4-sulfonyl)-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-yl]-amine (163561-70-4)

Guidance literature:

With sodium carbonate; In acetonitrile; for 72h; Heating;

DOI:10.1021/jm00012a022

Reference yield: 61.0%

1-(3-bromopropoxy)-3-chlorobenzene (37142-46-4) + 5-((3-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidin-6-yl)methyl)-1,3,4-oxadiazol-2(3H)-one → 1-([4-[3-(3-chlorophenoxy)propyl]-5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl]methyl)-7-methyl-6,7-dihydro-1H-purin-6-one

Guidance literature:

With tetra-(n-butyl)ammonium iodide; potassium carbonate; In N,N-dimethyl-formamide; at 25 ℃; for 2h;

upstream raw materials:

3-monochlorophenol

1,3-dibromo-propane

Downstream raw materials:

4-(3-chlorophenoxy)butanoic acid

5-(3-chloro-phenoxy)-valeric acid

Benzofuran-2-ylmethyl-[3-(3-chloro-phenoxy)-propyl]-dimethyl-ammonium; bromide

1,3-dimethyl-6-[4-(3-[3-chlorophenoxy]propyl)piperazin-1-yl]-2,4(1H,3H)-pyrimidinedione

Refernces

• 1、 -. "OXADIAZOLONES AS TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS". Paragraph 0675-0678. . Retrieved 2018/06/12.
• 2、 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.