Tert-butyl 2-(hydroxymethyl)morpholine-4-carboxylate

Base Information

• Chemical Name: Tert-butyl 2-(hydroxymethyl)morpholine-4-carboxylate
• CAS No.: 135065-69-9
• Molecular Formula: C10H19NO4
• Molecular Weight: 217.265
• Hs Code.: 2934999090
• European Community (EC) Number: 842-996-7
• ChEMBL ID: CHEMBL4586987
• DSSTox Substance ID: DTXSID90409523
• Nikkaji Number: J2.377.408I
• Mol file: 135065-69-9.mol

Synonyms:N-Boc-2-hydroxymethylmorpholine;N-tert-butoxycarbonyl-2-hydroxymethylmorpholine

Chemical Property of Tert-butyl 2-(hydroxymethyl)morpholine-4-carboxylate

Chemical Property:

• Vapor Pressure: 2.53E-05mmHg at 25°C
• Refractive Index: 1.474
• Boiling Point: 320.7 °C at 760 mmHg
• PKA: 14.36±0.10(Predicted)
• Flash Point: 147.8 °C
• PSA: 59.00000
• Density: 1.118 g/cm³
• LogP: 0.55250
• Storage Temp.: 2-8°C
• Solubility.: Dichloromethane, Ether, Ethyl Acetate,
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 217.13140809
• Heavy Atom Count: 15
• Complexity: 224

Purity/Quality:

97% ^*data from raw suppliers

2-Hydroxymethylmorpholine-4-carboxylicAcidtert-ButylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCOC(C1)CO
• Uses: Intermediate in the preparation of racemic analogs of Viloxazine.

Technology Process of Tert-butyl 2-(hydroxymethyl)morpholine-4-carboxylate

There total 14 articles about Tert-butyl 2-(hydroxymethyl)morpholine-4-carboxylate 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: 99.0%

di-tert-butyl dicarbonate (24424-99-5) + R,S-2-hydroxymethyl-4-benzylmorpholine (40987-24-4,943442-96-4) → tert-butyl 2-(hydroxymethyl)morpholine-4-carboxylate (135065-69-9)

Guidance literature:

palladium-carbon; In methanol;

Reference yield: 97.0%

4-(tert-butoxycarbonyl)morpholine-2-carboxylic acid (189321-66-2) → tert-butyl 2-(hydroxymethyl)morpholine-4-carboxylate (135065-69-9)

Guidance literature:

4-(tert-butoxycarbonyl)morpholine-2-carboxylic acid; With borane-THF; In tetrahydrofuran; at 0 - 20 ℃; for 0.416667h;

With methanol; acetic acid; In tetrahydrofuran;

Reference yield: 95.48%

4-(tert-butyl) 2-ethyl morpholine-2,4-dicarboxylate (768371-16-0) → tert-butyl 2-(hydroxymethyl)morpholine-4-carboxylate (135065-69-9)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 0 - 20 ℃; for 3h;

upstream raw materials:

di-tert-butyl dicarbonate

R,S-2-hydroxymethyl-4-benzylmorpholine

4-(tert-butoxycarbonyl)morpholine-2-carboxylic acid

4-(t-butyloxycarbonyl)morpholine-2-carboxylic acid methyl ester

Downstream raw materials:

2-(hydroxymethyl)morpholine hydrochloride

N-[[4-(tert-butoxycarbonyl)morpholin-2-yl]methyl]phthalimide

tert-butyl 2-(bromomethyl)morpholine-4-carboxylate

C₂₁H₃₂N₂O₅

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