3-Chloro-2-(chloromethyl)-2-methylpropan-1-ol

Base Information

• Chemical Name: 3-Chloro-2-(chloromethyl)-2-methylpropan-1-ol
• CAS No.: 5355-54-4
• Molecular Formula: C5H10 Cl2 O
• Molecular Weight: 157.04
• Hs Code.: 2905590090
• European Community (EC) Number: 226-338-0
• DSSTox Substance ID: DTXSID90201761
• Nikkaji Number: J217.923G
• Wikidata: Q83074979
• Mol file: 5355-54-4.mol

Synonyms:3-Chloro-2-(chloromethyl)-2-methylpropan-1-ol;5355-54-4;2,2-Bis(chloromethyl)-1-propanol;EINECS 226-338-0;1-Propanol, 3-chloro-2-(chloromethyl)-2-methyl-;2,2-bischloromethylpropanol;C5H10Cl2O;SCHEMBL4350288;C5-H10-Cl2-O;DTXSID90201761;AKOS006381953;3-Chloro-2-chloromethyl-2-methyl-1-propanol;3-Chloro-2-(chloromethyl)-2-methyl-1-propanol #

Chemical Property of 3-Chloro-2-(chloromethyl)-2-methylpropan-1-ol

Chemical Property:

• Vapor Pressure: 0.0495mmHg at 25°C
• Refractive Index: 1.4430 (estimate)
• Boiling Point: 208.4°Cat760mmHg
• Flash Point: 104.4°C
• PSA: 20.23000
• Density: 1.195g/cm³
• LogP: 1.46260
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 156.0108703
• Heavy Atom Count: 8
• Complexity: 61.4

Purity/Quality:

2,2-BIS-(CHLOROMETHYL)-1-PROPANOL 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 25-37/38-41
• Safety Statements: 26-39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CO)(CCl)CCl

Technology Process of 3-Chloro-2-(chloromethyl)-2-methylpropan-1-ol

There total 3 articles about 3-Chloro-2-(chloromethyl)-2-methylpropan-1-ol 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: 83.0%

2,2-bis(chloromethyl)propanoic acid (67329-11-7) → 3-chloro-2-(chloromethyl)-2-methylpropan-1-ol (5355-54-4)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; at 0 - 20 ℃; for 2h; Inert atmosphere;

DOI:10.1021/acs.inorgchem.6b01255

Reference yield:

3,3-bis(chloromethyl)oxetane (78-71-7,25323-58-4) → 3-chloro-2-(chloromethyl)-2-methylpropan-1-ol (5355-54-4)

Guidance literature:

With triethylaluminum;

DOI:10.1016/S0022-328X(00)87664-0

Reference yield:

→ 3-chloro-2-(chloromethyl)-2-methylpropan-1-ol (5355-54-4)

Guidance literature:

H3C-C(CH2OH)3, HCl;

upstream raw materials:

3,3-bis(chloromethyl)oxetane

2,2-bis(chloromethyl)propanoic acid