(3-Bromopropoxy)benzene

Base Information

• Chemical Name: (3-Bromopropoxy)benzene
• CAS No.: 588-63-6
• Molecular Formula: C9H11BrO
• Molecular Weight: 215.09
• Hs Code.: 29093090
• European Community (EC) Number: 209-623-4
• NSC Number: 2641
• DSSTox Substance ID: DTXSID1060425
• Nikkaji Number: J4.354K
• Wikidata: Q72501121
• Mol file: 588-63-6.mol

Synonyms:(3-Bromopropoxy)benzene;3-Phenoxypropyl bromide;588-63-6;3-Bromopropyl phenyl ether;Benzene, (3-bromopropoxy)-;1-Bromo-3-phenoxypropane;3-bromopropoxybenzene;Ether, 3-bromopropyl phenyl;gamma-Phenoxypropyl bromide;phenoxypropyl bromide;MFCD00000256;.gamma.-Phenoxypropyl bromide;NSC 2641;EINECS 209-623-4;AI3-11213;3-Phenoxypropylbromide;3-bromo-1-phenoxypropane;phenoxypropylbromide;p-bromopropoxybenzene;3-bromopropoxy benzene;bromo-3-phenoxypropane;3-phenoxy propylbromide;3-phenoxy-propylbromide;3-Phenoxylpropyl Bromide;3-bromopropylphenyl ether;3-bromopropylphenyl-ether;3-phenoxy propyl bromide;3-phenoxy-propyl bromide;3-phenoxy-1-bromopropane;3-(phenoxy)propyl bromide;(3-bromo-propoxy)-benzene;1-(3-bromopropoxy)benzene;2-(Bromomethyl)ethoxybenzene;SCHEMBL71797;(4-Methoxybenzyloxy)aceticacid;3-Phenoxypropyl bromide, 96%;DTXSID1060425;NIDWUZTTXGJFNN-UHFFFAOYSA-;NSC2641;NSC-2641;AKOS000345429;AC-20351;AS-17267;SY020995;AM20060682;CS-0030579;FT-0607489;FT-0608537;P1027;EN300-18740;Q-200391;Z90122132;F0001-1537

Chemical Property of (3-Bromopropoxy)benzene

Chemical Property:

• Appearance/Colour: light brown liquid
• Vapor Pressure: 0.0184mmHg at 25°C
• Melting Point: 10-11 °C(lit.)
• Refractive Index: n20/D 1.546(lit.)
• Boiling Point: 261.8 °C at 760 mmHg
• Flash Point: 96.1 °C
• PSA: 9.23000
• Density: 1.347 g/cm³
• LogP: 2.85040
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform, DMSO (Slightly), Methanol (Slightly)
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 213.99933
• Heavy Atom Count: 11
• Complexity: 89.6

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Phenoxypropyl Bromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OCCCBr
• Uses: 3-Phenoxypropyl Bromide is a reagent used in the synthesis of damidines in the study of myotonic dystrophy. Also used in thepreparation pf phenoxyalkylbenzimidazoles with antitubercular activity.

Technology Process of (3-Bromopropoxy)benzene

There total 20 articles about (3-Bromopropoxy)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: 99.5%

3-phenoxypropyl-4-methylbenzene sulfonate (57334-32-4) → 3-phenoxypropyl bromide (588-63-6)

Guidance literature:

With lithium bromide; In acetone; for 6h; Solvent; Reflux;

Reference yield: 95.0%

allyl phenyl ether (1746-13-0) → 3-phenoxypropyl bromide (588-63-6)

Guidance literature:

With sulfuric acid; sodium bromide; dibenzoyl peroxide; In tetrachloromethane; at 50 ℃; for 1h; Solvent; Reagent/catalyst; Temperature;

Reference yield: 93.0%

3-phenoxypropanol (6180-61-6) → 3-phenoxypropyl bromide (588-63-6)

Guidance literature:

With carbon tetrabromide; triphenylphosphine; In tetrahydrofuran;

DOI:10.1021/ol990836a

upstream raw materials:

sodium phenoxide

1,3-dibromo-propane

phenol

allyl phenyl ether

Downstream raw materials:

1-(3-phenoxypropyl)piperidine

1,4-bis-(3-phenoxy-propyl)-piperazine

1-(3-phenoxy-propyl)-4-phenyl-piperidine-4-carboxylic acid ethyl ester

isobutyl-(3-phenoxy-propyl)-amine

Refernces

• 1、 Bai, Li-Ping,Fu, Xiangjing,Guo, Yong,Han, Meiyue,Hou, Enhua,Liu, Jifeng,Qin, Shangshang,Wen, Tingyu,Yan, Xiaoting. "Development of Membrane-Active Honokiol/Magnolol Amphiphiles as Potent Antibacterial Agents against Methicillin-Resistant Staphylococcus aureus (MRSA)". supporting information. p. 12903 - 12916. Retrieved 2021/09/13.
• 2、 Kurouchi, Hiroaki,Ohwada, Tomohiko. "Synthesis of Medium-Ring-Sized Benzolactams by Using Strong Electrophiles and Quantitative Evaluation of Ring-Size Dependency of the Cyclization Reaction Rate". . p. 876 - 901. Retrieved 2019/12/30.