3-Bromo-1-propanol

Base Information

• Chemical Name: 3-Bromo-1-propanol
• CAS No.: 627-18-9
• Molecular Formula: C3H7BrO
• Molecular Weight: 138.992
• Hs Code.: 29055910
• European Community (EC) Number: 210-986-6
• UNII: 3T4AXH68FH
• DSSTox Substance ID: DTXSID3024657
• Nikkaji Number: J3.012K
• Wikidata: Q27257997
• ChEMBL ID: CHEMBL466545
• Mol file: 627-18-9.mol

Synonyms:3-Bromo-1-propanol;3-Bromopropan-1-ol;627-18-9;Trimethylene bromohydrin;1-Propanol, 3-bromo-;3-bromo-propan-1-ol;3-BROMOPROPANOL;3-Hydroxypropyl bromide;1-Bromo-3-propanol;CCRIS 5979;1-Bromo-3-hydroxypropane;UNII-3T4AXH68FH;MFCD00002942;EINECS 210-986-6;BRN 0969160;3T4AXH68FH;3-Bromo-1-propan-d6-ol;AI3-52315;DTXSID3024657;NCGC00091086-02;3-bromopropane-1-ol;3-brompropanol;3-bromo propanol;3-bromo-propanol;3-bromopropan-ol;bromopropan-3-ol;1-Bromopropan-3-ol;3-bromo propan-1-ol;3-bromanylpropan-1-ol;3-Bromopropanol-(1);(3-hydroxypropyl)-bromide;1-bromo-3-hydroxy-propane;3-hydroxyprop-1-yl bromide;SCHEMBL13044;3-Bromo-1-propanol, 97%;CHEMBL466545;DTXCID904657;BROMO-1-PROPANOL, 3-;BDBM36111;CHEBI:144333;STR02760;Tox21_400042;BBL027416;STL371946;AKOS015856419;CS-W007337;LS-1507;SB37999;NCGC00091086-01;NCGC00091086-03;BP-30238;BP-31189;CAS-627-18-9;SY001898;AM20100533;B0641;FT-0615126;EN300-67396;A833950;J-512126;Q27257997;F0001-1683

Chemical Property of 3-Bromo-1-propanol

Chemical Property:

• Appearance/Colour: colourless liquid
• Vapor Pressure: 0.357mmHg at 25°C
• Refractive Index: n20/D 1.488(lit.)
• Boiling Point: 175.3 °C at 760 mmHg
• PKA: 14.65±0.10(Predicted)
• Flash Point: 93.9 °C
• PSA: 20.23000
• Density: 1.566 g/cm³
• LogP: 0.76370
• Storage Temp.: 2-8°C
• Solubility.: 167g/l
• Water Solubility.: 167 g/L (20 ºC)
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 137.96803
• Heavy Atom Count: 5
• Complexity: 16.4

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xn,Xi
• Statements: 22-41-36/37/38
• Safety Statements: 26-39-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Halogenated Alcohols
• Canonical SMILES: C(CO)CBr
• Uses: Structure-mutagenic activity relationships in the Salmonella typhimurium TA100 strain in a series of short-chain halogenated hydrocarbons and alcohols. A reagent used in the synthesis of quaternary chiral prolines 3-Bromo-1-propanol is used in the synthesis of fluorescent halide-sensitive quinolinium dyes, chiral, quaternary prolines through cyclization of quaternary amino acids and molten salt-polymers. It is utilized for the study of micellar media and in microemulsions based on cationic or a nonionic surfactant by reacting with phenols. It acts as a grafting agent in the synthesis of recyclable reagents and an intermediate in the synthesis of organic molecules.

Technology Process of 3-Bromo-1-propanol

There total 28 articles about 3-Bromo-1-propanol 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: 98.0%

potassium (3-bromopropyl)trifluoroborate → 1-bromo-3-propanol (627-18-9)

Guidance literature:

With Oxone; water; In acetone; at 20 ℃; for 0.0333333h;

DOI:10.1021/jo102208d

Reference yield: 93.0%

3-(tetrahydro-2H-pyran-2-yloxy)propyl bromide (33821-94-2) → 1-bromo-3-propanol (627-18-9)

Guidance literature:

With silica-supported NaHSO₄; In methanol; at 20 ℃; for 0.25h;

DOI:10.1002/cjoc.201100358

Reference yield: 90.0%

trimethyleneglycol (504-63-2) → 1-bromo-3-propanol (627-18-9)

Guidance literature:

With hydrogen bromide; In benzene; for 20h; Heating;

DOI:10.1055/s-1985-31464

upstream raw materials:

trimethylene oxide

ethylmagnesium bromide

2-oxo-1,3,2-dioxathiane

diethyl ether

Downstream raw materials:

3-piperidinopropan-1-ol

1-(3-hydroxypropyl)hexahydro-1H-azepine

trimethylene oxide

3-bromopropyl 3,4,5-trimethoxybenzoate

Refernces

• 1、 Kabalka et al.. "-". . p. 512,516. Retrieved 1977.
• 2、 Carlson, Emily,Ho, Angel,Koh, Samuel,Macleod, Matthew P.,Pounder, Austin,Tam, William. "Acid-Catalyzed Intramolecular Ring-Opening Reactions of Cyclopropanated Oxabenzonorbornadienes with Carboxylic Acid Nucleophiles". . . Retrieved 2021/12/02.
• 3、 -. "Method for preparing high-purity Fudosteine". Paragraph 0022; 0023-0024; 0026. . Retrieved 2018/03/01.