(3-Bromopropyl)benzene

Base Information

• Chemical Name: (3-Bromopropyl)benzene
• CAS No.: 637-59-2
• Molecular Formula: C9H11Br
• Molecular Weight: 199.09
• Hs Code.: 29036990
• European Community (EC) Number: 211-294-7
• NSC Number: 133438
• UNII: 6VX623QN9V
• DSSTox Substance ID: DTXSID1060924
• Nikkaji Number: J144.046B
• Wikidata: Q27265606
• ChEMBL ID: CHEMBL4203225
• Mol file: 637-59-2.mol

Synonyms:(3-Bromopropyl)benzene;1-BROMO-3-PHENYLPROPANE;637-59-2;3-Phenylpropyl bromide;3-bromopropylbenzene;3-Bromo-1-phenylpropane;Benzene, (3-bromopropyl)-;(3-Bromoprop-1-yl)benzene;4-bromopropylbenzene;Benzene, bromopropyl-;1-Phenyl-3-bromopropane;(.gamma.-Bromopropyl)benzene;MFCD00000257;(gamma-Bromopropyl)benzene;NSC 133438;UNII-6VX623QN9V;6VX623QN9V;EINECS 211-294-7;NSC-133438;EC 211-294-7;Hydrocinnamyl bromide;phenylpropylbromide;3-phenylbromopropane;C(CCBr)c1ccccc1;NSC133438;3-phenylpropylbromide;3-phenylpropylbromine;3-bromanylpropylbenzene;3-phenyl propylbromide;1bromo-3-phenylpropane;3-bromo-propyl-benzene;1-brom-3-phenylpropane;3-(phenyl)propylbromide;3-phenyl-propyl bromide;l-bromo-3-phenylpropane;(3-bromopropyl) benzene;(3-bromopropyl)-benzene;1-bromo-3 phenylpropane;3-Phenyl-1-bromopropane;3-phenyl-1-propylbromide;(3-bromo-propyl)-benzene;1-(3-bromopropyl)benzene;1-(bromo-propyl)-benzene;1-bromo-3-phenyl-propane;1-bromo -3-phenyl propane;Benceno, (3-bromopropil)-;.gamma.-Phenylpropyl bromide;SCHEMBL81831;CHEMBL4203225;DTXSID1060924;1-Bromo-3-phenylpropane, 98%;1-BROMO-3-PHENYL PROPANE;.GAMMA.-BROMOPROPYL)BENZENE;STR03824;BBL027292;STL373485;AKOS000120756;BP-30042;SY046253;B1237;CS-0015315;FT-0604700;EN300-20957;D78162;A834512;W-109586;Q27265606;F0001-1731;3-BROMOPROPYL-BENZENE (1-PHENYL,3-BROMOPROPANE);(3-Bromopropyl)benzene, 3-Phenylpropyl bromide, Hydrocinnamyl bromide

Chemical Property of (3-Bromopropyl)benzene

Chemical Property:

• Appearance/Colour: colorless to light yellow liquid
• Melting Point: -10°C (estimate)
• Refractive Index: n20/D 1.546(lit.)
• Boiling Point: 220.2 °C at 760 mmHg
• Flash Point: 101.7 °C
• PSA: 0.00000
• Density: 1.31g/cm³
• LogP: 3.01410
• Storage Temp.: Store below +30°C.
• Solubility.: Chloroform, Methanol
• Water Solubility.: INSOLUBLE
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 198.00441
• Heavy Atom Count: 10
• Complexity: 74.8

Purity/Quality:

99.9% ^*data from raw suppliers

1-Bromo-3-phenylpropane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xn,Xi
• Statements: 22-36/38-36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Halogenated Monoaromatics
• Canonical SMILES: C1=CC=C(C=C1)CCCBr
• Uses: 1-Bromo-3-phenylpropane is used in the synthesis of MraY natural inhibitors as antibacterial agents. Also used in the preparation of quinolinone derivatives as potent and selective MAO-B inhibitors.

Technology Process of (3-Bromopropyl)benzene

There total 60 articles about (3-Bromopropyl)benzene 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: 100.0%

3-phenylpropanol methanesulfonate (69804-99-5) → 1-Bromo-3-phenylpropane (637-59-2)

Guidance literature:

With 1-n-butyl-3-methylimidazolim bromide; at 50 ℃; for 1h; Concentration; Temperature; Time; Inert atmosphere; Green chemistry;

DOI:10.1055/s-0032-1317473 DOI:10.1055/s-0032-1317473

Reference yield: 100.0%

3-Phenyl-1-propanol (122-97-4) → 1-Bromo-3-phenylpropane (637-59-2)

Guidance literature:

With polystyrene-supported triphenylphosphine dibromide; In chloroform; at 61 ℃; for 3h;

Reference yield: 100.0%

3-phenylpropyl 4-methylbenzenesulfonate (3742-75-4) → 1-Bromo-3-phenylpropane (637-59-2)

Guidance literature:

With 1-n-butyl-3-methylimidazolim bromide; at 50 ℃; for 1h; Concentration; Temperature; Time; Inert atmosphere; Green chemistry;

DOI:10.1055/s-0032-1317473 DOI:10.1055/s-0032-1317473

upstream raw materials:

allylbenzene

3-Phenyl-1-propanol

bis(3-phenylpropyl) ether

3-phenoxypropylbenzene

Downstream raw materials:

2-(3-phenyl-propyl)-malonamic acid ethyl ester

phenylpropyl carbamimidothioate hydrobromide

2,2-dimethyl-1,5-diphenyl-pentan-1-one

17-(3-phenyl-propyl)-morphinan-3-ol

Refernces

• 1、 Kitamura, Masanori,Kitaoka, Yuki,Fujita, Hikaru,Kunishima, Munetaka. "Nucleophilic substitution reactions of unbranched alkyl amines using triazine reagents". . . Retrieved 2022/03/02.
• 2、 Cruz, Daniel A.,Sinka, Victoria,De Armas, Pedro,Steingruber, Hugo Sebastian,Fernández, Israel,Martín, Víctor S.,Miranda, Pedro O.,Padrón, Juan I.. "Iron(II) and Copper(I) Control the Total Regioselectivity in the Hydrobromination of Alkenes". supporting information. p. 6105 - 6109. Retrieved 2021/08/18.