4-Benzyl-3-(chloromethyl)morpholine

Base Information

• Chemical Name: 4-Benzyl-3-(chloromethyl)morpholine
• CAS No.: 110167-16-3
• Molecular Formula: C12H16 Cl N O
• Molecular Weight: 225.718
• Hs Code.: 2934999090
• European Community (EC) Number: 842-679-3
• DSSTox Substance ID: DTXSID20549027
• Nikkaji Number: J604.395J
• Mol file: 110167-16-3.mol

Synonyms:4-Benzyl-3-(chloromethyl)morpholine;110167-16-3;4-benzyl-3-chloromethyl-morpholine;4-Benzyl-3-chloromethylmorpholine;SCHEMBL2459177;DTXSID20549027;MFCD10687124;AKOS016005471;SB44523;CS-0318818;A894928

Chemical Property of 4-Benzyl-3-(chloromethyl)morpholine

Chemical Property:

• Vapor Pressure: 0.00042mmHg at 25°C
• Refractive Index: 1.537
• Boiling Point: 316.1ºC at 760 mmHg
• PKA: 5.53±0.40(Predicted)
• Flash Point: 144.9ºC
• PSA: 12.47000
• Density: 1.132g/cm3
• LogP: 2.06410
• Storage Temp.: 2-8°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 225.0920418
• Heavy Atom Count: 15
• Complexity: 183

Purity/Quality:

97% ^*data from raw suppliers

4-Benzyl-3-chloromethyl-morpholine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCC(N1CC2=CC=CC=C2)CCl

Technology Process of 4-Benzyl-3-(chloromethyl)morpholine

There total 2 articles about 4-Benzyl-3-(chloromethyl)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-benzyl-3-(hydroxymethyl)morpholine (110167-20-9) → N-benzyl-3-(chloromethyl)morpholine (110167-16-3)

Guidance literature:

Multi-step reaction with 2 steps

1: thionylchloride, DMF / CH₂Cl₂ / 2 h / Heating

2: sat. NaHCO₃

With thionyl chloride; sodium hydrogencarbonate; N,N-dimethyl-formamide; In dichloromethane;

Reference yield:

4-benzyl-3-chloromethylmorpholine hydrochloride (114368-08-0) → N-benzyl-3-(chloromethyl)morpholine (110167-16-3)

Guidance literature:

With sodium hydrogencarbonate; Yield given;

Reference yield: 58.0%

sodium cyanide (143-33-9,25596-52-5) + N-benzyl-3-(chloromethyl)morpholine (110167-16-3) → (4-benzylmorpholin-3-yl)acetonitrile (111949-90-7,1217855-96-3,170701-93-6)

Guidance literature:

In dimethyl sulfoxide; at 70 ℃; for 3.5h;

upstream raw materials:

4-benzyl-3-chloromethylmorpholine hydrochloride

4-benzyl-3-(hydroxymethyl)morpholine

Downstream raw materials:

(4-benzylmorpholin-3-yl)acetonitrile

N-(4-benzylmorpholin-3-yl)methylacetamide

4-benzyl-3-phenoxymethylmorpholine hydrochloride

4-benzyl-6-phenoxy-1,4-oxazepine