4-(1-Chloropropan-2-yl)morpholine

Base Information

• Chemical Name: 4-(1-Chloropropan-2-yl)morpholine
• CAS No.: 76191-26-9
• Molecular Formula: C₇H₁₄ClNO
• Molecular Weight: 163.647
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID70509651
• Mol file: 76191-26-9.mol

Synonyms:76191-26-9;4-(1-chloropropan-2-yl)morpholine;4-(2-CHLORO-1-METHYLETHYL)MORPHOLINE;4-(2-chloro-1-methylethyl)morpholine hydrochloride;SCHEMBL6753138;DTXSID70509651;AKOS000321211;AKOS016342134;4-(2-Chloro-1-methyl-ethyl)-morpholine;BB 0240881

Chemical Property of 4-(1-Chloropropan-2-yl)morpholine

Chemical Property:

• PSA: 12.47000
• LogP: 1.68580
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 163.0763918
• Heavy Atom Count: 10
• Complexity: 93.6

Purity/Quality:

98%min ^*data from raw suppliers

4-(2-chloro-1-methylethyl)morpholine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCl)N1CCOCC1

Technology Process of 4-(1-Chloropropan-2-yl)morpholine

There total 2 articles about 4-(1-Chloropropan-2-yl)morpholine 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:

→ 4-(2-chloro-1-methyl-ethyl)-morpholine (76191-26-9)

Guidance literature:

With thionyl chloride;

Reference yield:

morpholine (110-91-8,99108-56-2) + methyloxirane (75-56-9,16033-71-9) → 4-(2-chloro-propyl)-morpholine (41821-45-8) + 4-(2-chloro-1-methyl-ethyl)-morpholine (76191-26-9)

Guidance literature:

With thionyl chloride; Multistep reaction. Yields of byproduct given. Title compound not separated from byproducts; 1.) methanol, 45 deg C, 3 h, 2.) reflux, 2 h;

DOI:10.1016/S0022-1139(00)80506-0

Reference yield:

4-(2-chloro-1-methyl-ethyl)-morpholine (76191-26-9) + phenyl(1H-pyrrol-2-yl)methanone (7697-46-3) → [1-(2-morpholin-4-yl-propyl)-pyrrol-2-yl]-phenyl-methanone (13192-61-5)

Guidance literature:

Multistep reaction; (i) KOtBu, (ii) /BRN= 105160/;

upstream raw materials:

morpholine

methyloxirane

Downstream raw materials:

[1-(2-morpholin-4-yl-propyl)-pyrrol-2-yl]-phenyl-methanone

hydroxy-diphenyl-acetic acid 2-morpholin-4-yl-propyl ester

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