2-Propanol, 1-chloro-3-(1-methylethoxy)-

Base Information

• Chemical Name: 2-Propanol, 1-chloro-3-(1-methylethoxy)-
• CAS No.: 4288-84-0
• Molecular Formula: C6H13ClO2
• Molecular Weight: 152.64
• Hs Code.: 2909499000
• NSC Number: 48079,31425
• UNII: 259QJ41789
• DSSTox Substance ID: DTXSID50884054
• Nikkaji Number: J149.585B
• Wikidata: Q27253931
• Mol file: 4288-84-0.mol

Synonyms:2-Propanol, 1-chloro-3-(1-methylethoxy)-;4288-84-0;1-Chloro-3-isopropoxy-2-propanol;2-Propanol, 1-chloro-3-isopropoxy-;3-Isopropoxy-1-chloro-2-propanol;NSC 48079;1-chloro-3-propan-2-yloxypropan-2-ol;NSC 31425;U 25,352;1-chloro-3-(propan-2-yloxy)propan-2-ol;AI3-61874;UNII-259QJ41789;2-Propanol, 1-chloro-2-isopropoxy-;NSC-31425;NSC-48079;259QJ41789;SCHEMBL9826879;DTXSID50884054;NSC31425;NSC48079;STL453778;AKOS006384015;LS-121903;LS-121904;CS-0238500;EN300-1964138;U-25352;Q27253931

Chemical Property of 2-Propanol, 1-chloro-3-(1-methylethoxy)-

Chemical Property:

• Refractive Index: 1.4370 (estimate)
• Boiling Point: 210.74°C (rough estimate)
• PKA: 13.31±0.20(Predicted)
• PSA: 29.46000
• Density: 1.0910
• LogP: 1.01110
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 152.0604073
• Heavy Atom Count: 9
• Complexity: 66.1

Purity/Quality:

99% ^*data from raw suppliers

1-CHLORO-3-ISOPROPOXY-2-PROPANOL Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)OCC(CCl)O

Technology Process of 2-Propanol, 1-chloro-3-(1-methylethoxy)-

There total 12 articles about 2-Propanol, 1-chloro-3-(1-methylethoxy)- 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: 100.0%

glycidyl isopropyl ether (4016-14-2) → 1-chloro-3-isopropoxypropan-2-ol (4288-84-0)

Guidance literature:

With chloro-trimethyl-silane; 3-butyl-1-methyl-1H-imidazol-3-ium hexafluorophosphate; at 20 ℃; for 1h;

DOI:10.1016/j.tetlet.2004.01.042

Reference yield: 98.0%

isopropyl alcohol (67-63-0,8013-70-5) + epichlorohydrin (106-89-8,24969-06-0,13403-37-7) → 1-chloro-3-isopropoxypropan-2-ol (4288-84-0)

Guidance literature:

With Montmorillonite K₁₀-H(+); at 65 ℃; for 1h; Reagent/catalyst; Inert atmosphere;

DOI:10.1021/acs.oprd.9b00411

Reference yield: 53.0%

isopropyl alcohol (67-63-0,8013-70-5) + epichlorohydrin (106-89-8,24969-06-0,13403-37-7) → 1-chloro-3-isopropoxypropan-2-ol (4288-84-0) + 1-Chloro-3-(1-chloromethyl-2-isopropoxy-ethoxy)-propan-2-ol (82776-66-7)

Guidance literature:

Montmorillonite K 10; In tetrachloromethane; for 2.5h; Heating;

upstream raw materials:

isopropyl alcohol

epichlorohydrin

5-chloromethyl-2,2-dimethyl-1,3-dioxolane

glycidyl isopropyl ether

Downstream raw materials:

1-((fluoro(methyl)phosphoryl)oxy)-3-isopropoxypropan-2-yl oleate

3-isopropoxymethyl-8-methyl-2-oxa-8-aza-5-azonia-spiro[4.5]decane; tetraphenylborate