1-Chloro-3-methoxypropan-2-ol

Base Information

• Chemical Name: 1-Chloro-3-methoxypropan-2-ol
• CAS No.: 4151-97-7
• Molecular Formula: C4H9 Cl O2
• Molecular Weight: 124.567
• Hs Code.: 2909 49 80
• European Community (EC) Number: 223-982-4
• NSC Number: 166627,65872
• DSSTox Substance ID: DTXSID401308186
• Nikkaji Number: J25.031G
• Mol file: 4151-97-7.mol

Synonyms:1-Chloro-3-methoxypropan-2-ol;4151-97-7;1-chloro-3-methoxy-2-propanol;2-Propanol, 1-chloro-3-methoxy-;3-CHLORO-1-METHOXY-2-PROPANOL;EINECS 223-982-4;AI3-61849;NSC65872;C(O)(CCl)COC;SCHEMBL19648;FOLYKNXDLNPWGC-UHFFFAOYSA-;DTXSID401308186;2-hydroxy-3-methoxypropyl chloride;MFCD00018935;NSC 65872;NSC-65872;NSC166627;AKOS000348993;AKOS026731033;3-Chloro-2-hydroxypropyl Methyl Ether;NSC 166627;NSC-166627;SB83854;AS-59794;CS-0303388;FT-0607619;D84795;EN300-1239567

Chemical Property of 1-Chloro-3-methoxypropan-2-ol

Chemical Property:

• Vapor Pressure: 0.247mmHg at 25°C
• Refractive Index: 1.4463
• Boiling Point: 181.6°Cat760mmHg
• PKA: 13.28±0.20(Predicted)
• Flash Point: 63.6°C
• PSA: 29.46000
• Density: 1.13g/cm³
• LogP: 0.23250
• Storage Temp.: Store below +30°C.
• Solubility.: Chloroform, DMSO (Sparingly), Methanol (Slightly)
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 124.0291072
• Heavy Atom Count: 7
• Complexity: 40.7

Purity/Quality:

97% ^*data from raw suppliers

1-Chloro-3-methoxy-2-propanol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 20/21/22-36-36/37/38
• Safety Statements: 23-26-36/37/39-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COCC(CCl)O
• Uses: 1-Chloro-3-methoxy-2-propanol is used in the synthesis of O-Methylganciclovir (M275440), an analogue of Ganciclovir (G235000) and displays excellent antiviral activity when tested in vivo against herpes simplex virus type 1 infection in mice.

Technology Process of 1-Chloro-3-methoxypropan-2-ol

There total 9 articles about 1-Chloro-3-methoxypropan-2-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: 98.9%

methanol (67-56-1) + epichlorohydrin (106-89-8,24969-06-0,13403-37-7) → 1-chloro-3-methoxypropan-2-ol (4151-97-7)

Guidance literature:

With Nafion NR₅₀; at 65 ℃; for 2h; Reagent/catalyst; Inert atmosphere;

DOI:10.1021/acs.oprd.9b00411

Reference yield: 94.0%

3-chloroprop-1-ene (107-05-1) → 1-chloro-3-methoxypropan-2-ol (4151-97-7) + 3-monochloro-1,2-propanediol (96-24-2) + epichlorohydrin (106-89-8,24969-06-0,13403-37-7)

Guidance literature:

With dihydrogen peroxide; TS-1; In methanol; water; 1,2-dichloro-benzene; at 25 - 40 ℃; for 1h; Product distribution / selectivity;

Reference yield: 84.0%

methanol (67-56-1) + epichlorohydrin (106-89-8,24969-06-0,13403-37-7) → 1-chloro-3-methoxypropan-2-ol (4151-97-7) + 3-chloro-2-methoxy-propan-1-ol (2858-55-1)

Guidance literature:

With Montmorillonite K₁₀-H⁺; at 65 ℃; for 2h; regiospecific reaction; Inert atmosphere;

DOI:10.1021/acs.oprd.9b00411

upstream raw materials:

glycerol 1-monomethyl ether

methanol

epichlorohydrin

4-chloromethyl-[1,3]dioxolane

Downstream raw materials:

1-methoxy-3-phenyl-2-propanol

3-Hydroxy-4-methoxy-buttersaeure-mitril

1-[2-(4-Bromo-phenylazo)-imidazol-1-yl]-3-methoxy-propan-2-ol

1-[2-(4-Bromo-phenylazo)-4,5-diethyl-imidazol-1-yl]-3-methoxy-propan-2-ol