1-(4-Bromophenyl)ethanol

Base Information

• Chemical Name: 1-(4-Bromophenyl)ethanol
• CAS No.: 5391-88-8
• Molecular Formula: C8H9 Br O
• Molecular Weight: 201.063
• Hs Code.: 29062900
• European Community (EC) Number: 226-389-9
• NSC Number: 3223
• DSSTox Substance ID: DTXSID301034356
• Nikkaji Number: J217.943A
• Wikidata: Q72449407
• Mol file: 5391-88-8.mol

Synonyms:1-(4-bromophenyl)ethanol;4-bromophenylethanol;p-bromophenylethanol;pBrPE cpd

Chemical Property of 1-(4-Bromophenyl)ethanol

Chemical Property:

• Appearance/Colour: white crystalline solid liquid
• Vapor Pressure: 0.00956mmHg at 25°C
• Melting Point: 33-37 ºC
• Refractive Index: 1.5680
• Boiling Point: 119-121 ºC (7 mmHg)
• PKA: 14.22±0.20(Predicted)
• Flash Point: 63 ºC
• PSA: 20.23000
• Density: 1.46
• LogP: 2.50240
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 199.98368
• Heavy Atom Count: 10
• Complexity: 97.4

Purity/Quality:

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

1-(4-Bromophenyl)ethanol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn,Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C1=CC=C(C=C1)Br)O
• Uses: 4-Bromo-α-methylbenzyl alcohol was used in the synthesis of 3-(4-(1-(tert-butyl)dimethylsilyloxy)ethyl)phenyl)-3-(trifluoromethyl)-3H-diazirine and (1-(4-bromophenyl)ethoxy)(tert-butyl)dimethylsilane.

Technology Process of 1-(4-Bromophenyl)ethanol

There total 203 articles about 1-(4-Bromophenyl)ethanol 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: 99.0%

(1-(4-bromophenyl)ethoxy)trimethylsilane → 1-(4-bromophenyl)ethanol (5391-88-8)

Guidance literature:

With bismuth(lll) trifluoromethanesulfonate; In methanol; at 20 ℃; for 0.0166667h;

DOI:10.1081/SCC-100103326

Reference yield: 99.0%

methanol (67-56-1) + para-bromoacetophenone (99-90-1) → 1-(4-bromophenyl)ethanol (5391-88-8)

Guidance literature:

With sodium tetrahydroborate; at 0 - 20 ℃; for 2h; Inert atmosphere;

DOI:10.1016/j.tet.2019.01.003

Reference yield: 99.0%

methylmagnesium bromide (75-16-1) + 4-bromo-benzaldehyde (1122-91-4) → 1-(4-bromophenyl)ethanol (5391-88-8)

Guidance literature:

In tetrahydrofuran; at 0 - 20 ℃; for 6.5h; Inert atmosphere;

DOI:10.1002/chem.201806057

upstream raw materials:

4-(α-acetoxyethyl)-1-bromobenzene

(-)-(S)-N,N-dimethyl-1-phenylethylamine

acetic anhydride

para-bromoacetophenone

Downstream raw materials:

(R)-2-(4-bromophenyl)-2-cyclopropyl-N′-hydroxypropanimidamide

(R)-2-(4-bromophenyl)-2-cyclopropylpropanal

(R)-2-(4-bromophenyl)-2-cyclopropylpropanal oxime

(S)-1-(4-bromophenyl)ethyl diisopropylcarbamate