1-(3-Bromopropyl)-3-chlorobenzene

Base Information

• Chemical Name: 1-(3-Bromopropyl)-3-chlorobenzene
• CAS No.: 91085-89-1
• Molecular Formula: C9H10BrCl
• Molecular Weight: 233.535
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID90555599
• Wikidata: Q82436995
• Mol file: 91085-89-1.mol

Synonyms:1-(3-BROMOPROPYL)-3-CHLOROBENZENE;91085-89-1;1-(3-Bromo-propyl)-3-chloro-benzene;SCHEMBL79458;DTXSID90555599;OHERYFKQOIVITI-UHFFFAOYSA-N;MFCD09744367;1-bromo-3-(3-chlorophenyl)-propane;AKOS011897941;AB90587;BS-24862;CS-0211765;C78574;EN300-674448

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

Chemical Property:

• Boiling Point: 108 °C(Press: 1 Torr)
• PSA: 0.00000
• Density: 1.424±0.06 g/cm3(Predicted)
• LogP: 3.66750
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 231.96544
• Heavy Atom Count: 11
• Complexity: 106

Purity/Quality:

≥95% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 7 articles about 1-(3-Bromopropyl)-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:

3-(3-chlorophenyl)propanol (22991-03-3) → 1-bromo-3-(3-chlorophenyl)-propane (91085-89-1)

Guidance literature:

With sulfuric acid; hydrogen bromide;

Reference yield:

methyl (E)-3-(3-chlorophenyl)prop-2-enoate (42175-03-1,79432-89-6,24583-84-4) → 1-bromo-3-(3-chlorophenyl)-propane (91085-89-1)

Guidance literature:

Multi-step reaction with 3 steps

1: H₂ / 10 percent Pd/C / tetrahydrofuran / 2068.59 Torr

2: LiAlH₄ / tetrahydrofuran / 3 h / Heating

3: CBr₄; Ph₃P / CH₂Cl₂ / 24 h / 0 °C

With lithium aluminium tetrahydride; carbon tetrabromide; hydrogen; triphenylphosphine; palladium on activated charcoal; In tetrahydrofuran; dichloromethane;

DOI:10.1021/jm010556c

Reference yield:

m-Chlorobenzaldehyde (587-04-2) → 1-bromo-3-(3-chlorophenyl)-propane (91085-89-1)

Guidance literature:

Multi-step reaction with 4 steps

1: tetrahydrofuran / Heating

2: H₂ / 10 percent Pd/C / tetrahydrofuran / 2068.59 Torr

3: LiAlH₄ / tetrahydrofuran / 3 h / Heating

4: CBr₄; Ph₃P / CH₂Cl₂ / 24 h / 0 °C

With lithium aluminium tetrahydride; carbon tetrabromide; hydrogen; triphenylphosphine; palladium on activated charcoal; In tetrahydrofuran; dichloromethane;

DOI:10.1021/jm010556c

upstream raw materials:

3-(3-chlorophenyl)propanol

methyl (E)-3-(3-chlorophenyl)prop-2-enoate

m-Chlorobenzaldehyde

m-Chlorocinnamic acid

Downstream raw materials:

5-(m-chlorophenyl)-1,1,1-trifluoropentan-2-one

[5-(2-{4-[3-(3-chlorophenyl)propoxy]-3-trifluoromethylphenyl}ethyl)-2,2-dimethyl-1,3-dioxan-5-yl]carbamic acid t-butyl ester

1-(3-chlorophenyl)-4-(3-ethyl-pyridin-4-yl)-butane

1-(3-chlorophenyl)-4-(3-methyl-pyridin-4-yl)butane

Refernces

• 1、 Yamashita, Yasunobu,Tanaka, Ken-ichiro,Yamakawa,Asano,Kanda, Yuki,Takafuji,Kawahara, Masahiro,Takenaga, Mitsuko,Fukunishi, Yoshifumi,Mizushima. "Chemical modification-mediated optimisation of bronchodilatory activity of mepenzolate, a muscarinic receptor antagonist with anti-inflammatory activity". supporting information. p. 3339 - 3346. Retrieved 2019/06/18.
• 2、 -. "AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF". Page/Page column 70. . Retrieved 2010/04/25.