3-Chloro-1-propanol

Base Information

• Chemical Name: 3-Chloro-1-propanol
• CAS No.: 627-30-5
• Molecular Formula: C3H7ClO
• Molecular Weight: 94.541
• Hs Code.: 2905.50
• European Community (EC) Number: 210-992-9
• NSC Number: 60190
• UN Number: 2849
• UNII: 148011U61G
• DSSTox Substance ID: DTXSID9024809
• Nikkaji Number: J3.014G
• Wikidata: Q27251597
• ChEMBL ID: CHEMBL1230102
• Mol file: 627-30-5.mol

Synonyms:3-chloro-1-propanol;3-chloropropan-1-ol

Chemical Property of 3-Chloro-1-propanol

Chemical Property:

• Appearance/Colour: colourless liquid
• Melting Point: -20 °C
• Refractive Index: n20/D 1.445(lit.)
• Boiling Point: 165 °C at 760 mmHg
• PKA: 14.73±0.10(Predicted)
• Flash Point: 73.3 °C
• PSA: 20.23000
• Density: 1.087 g/cm³
• LogP: 0.60760
• Storage Temp.: 0-6°C
• Solubility.: 50g/l (slow decomposition)
• Water Solubility.: 300 g/L (20 ºC)
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 94.0185425
• Heavy Atom Count: 5
• Complexity: 16.4
• Transport DOT Label: Poison

Purity/Quality:

98% ^*data from raw suppliers

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

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Halogenated Alcohols
• Canonical SMILES: C(CO)CCl
• Uses: 3-Chloro-1-propanol is used in organicsynthesis to produce cyclopropane andtrimethylene oxide. It is an intermediate inthe synthesis of pharmaceuticals, agrochemicals, antiseptic agents, and dyes. It is an inhibitor of triosephosphate isomerase and glyceraldehyde 3-phosphate dehydrogenase.

Technology Process of 3-Chloro-1-propanol

There total 36 articles about 3-Chloro-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: 96.0%

trimethyleneglycol (504-63-2) → 1-chloro-3-hydroxypropane (627-30-5)

Guidance literature:

With hydrogenchloride; benzenesulfonic acid; In water; at 50 - 90 ℃; for 13h; Large scale;

Reference yield: 87.0%

2-chloropropionyl chloride (625-36-5) → 1-chloro-3-hydroxypropane (627-30-5)

Guidance literature:

With sodium tetrahydroborate; lithium perchlorate; In acetonitrile; for 0.666667h;

DOI:10.1080/00397910500186177

Reference yield: 85.0%

1-(t-Butyldimethylsilyloxy)-3-chloro-propane (89031-82-3) → 1-chloro-3-hydroxypropane (627-30-5)

Guidance literature:

With zinc tetrafluoroborate; In water; for 16h; Ambient temperature;

DOI:10.1016/S0040-4039(99)00097-0

upstream raw materials:

trimethylene oxide

carbamic chloride

tert-butylmagnesium chloride

formaldehyd

Downstream raw materials:

3-pyrrolidin-1-yl-propan-1-ol

3-(4-methylpiperidin-1-yl)propan-1-ol

1-(3-hydroxy-propyl)-3,7-dimethyl-3,7-dihydro-purine-2,6-dione

cyclohexyl-{3-[4-(2-phenothiazin-10-yl-ethyl)-piperazino]-propyl}-amine

Refernces

• 1、 Lambert, Tristan H.,Steiniger, Keri A.. "Primary Alcohols via Nickel Pentacarboxycyclopentadienyl Diamide Catalyzed Hydrosilylation of Terminal Epoxides". supporting information. p. 8013 - 8017. Retrieved 2021/10/25.
• 2、 Aslan-üzel, A?k?n S.,Beier, Andy,Ková?, David,Cziegler, Clemens,Padhi, Santosh K.,Schuiten, Eva D.,D?rr, Mark,B?ttcher, Dominique,Hollmann, Frank,Rudroff, Florian,Mihovilovic, Marko D.,Bury?ka, Tomá?,Damborsky, Ji?í,Prokop, Zbyněk,Badenhorst, Christoffel P. S.,Bornscheuer, Uwe T.. "An Ultrasensitive Fluorescence Assay for the Detection of Halides and Enzymatic Dehalogenation". . p. 2032 - 2039. Retrieved 2020/02/11.