(R)-Methyl morpholine-3-carboxylate

Base Information

• Chemical Name: (R)-Methyl morpholine-3-carboxylate
• CAS No.: 1187933-47-6
• Molecular Formula: C6H11NO3
• Molecular Weight: 145.158
• DSSTox Substance ID: DTXSID60363820
• Wikidata: Q82147568
• Mol file: 1187933-47-6.mol

Synonyms:(R)-METHYL MORPHOLINE-3-CARBOXYLATE;1187933-47-6;methyl (3R)-morpholine-3-carboxylate;methyl (R)-morpholine-3-carboxylate;Methyl (3R)-3-morpholinecarboxylate;MFCD06799486;SCHEMBL12921048;DTXSID60363820;AKOS006343511;AKOS015855747;s10486;AS-62135;(R)-METHYLMORPHOLINE-3-CARBOXYLATE;CS-0109445;EN300-250008;A892836

Chemical Property of (R)-Methyl morpholine-3-carboxylate

Chemical Property:

• Boiling Point: 202.2±30.0 °C(Predicted)
• PKA: 6.96±0.40(Predicted)
• PSA: 47.56000
• Density: 1.106±0.06 g/cm3(Predicted)
• LogP: -0.52340
• Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 145.07389321
• Heavy Atom Count: 10
• Complexity: 126

Purity/Quality:

98%, ^*data from raw suppliers

(R)-Methylmorpholine-3-carboxylate 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1COCCN1
• Isomeric SMILES: COC(=O)[C@H]1COCCN1

Technology Process of (R)-Methyl morpholine-3-carboxylate

There total 2 articles about (R)-Methyl morpholine-3-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: 35.0%

methanol (67-56-1) + (3R)-morpholine-3-carboxylic acid hydrochloride (66937-99-3) → methyl (R)-morpholine-3-carboxylate (1187933-47-6)

Guidance literature:

With thionyl chloride; at -20 - 20 ℃; for 24h;

Reference yield:

(R)-morpholine-3,4-dicarboxylic acid 4-tert-butyl ester (869681-70-9) + methanol (67-56-1) → methyl (R)-morpholine-3-carboxylate (1187933-47-6)

Guidance literature:

With thionyl chloride; for 16h; Reflux;

Reference yield: 66.0%

methyl (R)-morpholine-3-carboxylate (1187933-47-6) + 2-(4-((2-(2,6-difluorophenyl)-5-oxo-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)amino)phenyl)acetic acid → C26H23F2N5O5

Guidance literature:

With N-ethyl-N,N-diisopropylamine; HATU; In N,N-dimethyl-formamide; at 20 ℃; for 3h;

upstream raw materials:

(R)-morpholine-3,4-dicarboxylic acid 4-tert-butyl ester

methanol

(3R)-morpholine-3-carboxylic acid hydrochloride

Downstream raw materials:

methyl 4-[2-(3,5-difluorophenyl)-2-oxoethyl]morpholine-3(R)-carboxylate

(9aR)-8-allyl-7(S)-(3,5-difluorophenyl)hexahydropyrazino[2,1-c][1,4]oxazin-9(6H)-one

(9aR)-8-allyl-7(R)-(3,5-difluorophenyl)hexahydropyrazino[2,1-c][1,4]oxazin-9(6H)-one

(2R)-5-{(1E)-3-[(7R,9aR)-7-(3,5-difluorophenyl)-9-oxohexahydropyrazino[2,1-c][1,4]oxazin-8(1H)-yl]prop-1-en-1-yl}-1,3-dihydrospiro[indene-2,3 '-pyrrolo[2,3-b]pyridin]-2'(1'H)-one 5

Refernces

• 1、 -. "MONOCYCLIC CGRP RECEPTOR ANTAGONISTS". Page/Page column 109. . Retrieved 2009/10/22.