Tert-butyl (morpholin-2-ylmethyl)carbamate

Base Information

• Chemical Name: Tert-butyl (morpholin-2-ylmethyl)carbamate
• CAS No.: 173341-02-1
• Molecular Formula: C10H20N2O3
• Molecular Weight: 216.28
• Hs Code.: 2934999090
• European Community (EC) Number: 674-921-7
• ChEMBL ID: CHEMBL4577717
• DSSTox Substance ID: DTXSID20597886
• Mol file: 173341-02-1.mol

Synonyms:173341-02-1;tert-butyl (morpholin-2-ylmethyl)carbamate;2-N-Boc-aminomethylmorpholine;tert-butyl morpholin-2-ylmethylcarbamate;tert-butyl N-(morpholin-2-ylmethyl)carbamate;tert-Butyl [(morpholin-2-yl)methyl]carbamate;CARBAMIC ACID, N-(2-MORPHOLINYLMETHYL)-, 1,1-DIMETHYLETHYL ESTER;tert-butyl(morpholin-2-ylmethyl)carbamate;MFCD06808588;morpholin-2-ylmethyl-carbamic acid tert-butyl ester;(S)-2-(Boc-aminomethyl)morpholine;MFCD12545850;2-(boc-aminomethyl)morpholine;SCHEMBL754567;CHEMBL4577717;2-(N-Boc-aminomethyl)morpholine;DTXSID20597886;IYHJNCQAADULQE-UHFFFAOYSA-N;Carbamic acid, (2-morpholinylmethyl)-, 1,1-dimethylethyl ester;STK502693;AKOS000321272;AKOS016342050;t-butyl(morpholin-2-yl)methylcarbamate;PB15095;PB20980;SB20747;AS-37007;SY008125;SY008126;SY034278;2-N-Boc-aminomethylmorpholine, AldrichCPR;tert-butyl (morpholin-2-yl)methylcarbamate;DB-012945;A3831;AM20090033;CS-0048051;EN300-152992;tert-butyl N-[(morpholin-2-yl)methyl]carbamate;2-[[(tert-Butoxycarbonyl)amino]methyl]morpholine;1,1-Dimethylethyl [(2-morpholinyl)methyl]carbamate;J-524791;[(Morpholin-2-yl)methyl]carbamic acid tert-butyl ester;Z439694210

Chemical Property of Tert-butyl (morpholin-2-ylmethyl)carbamate

Chemical Property:

• Vapor Pressure: 0.000131mmHg at 25°C
• Refractive Index: 1.452
• Boiling Point: 334 °C at 760 mmHg
• PKA: 12.22±0.46(Predicted)
• Flash Point: 155.8 °C
• PSA: 59.59000
• Density: 1.032 g/cm³
• LogP: 1.21920
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 216.14739250
• Heavy Atom Count: 15
• Complexity: 213

Purity/Quality:

97% ^*data from raw suppliers

tert-Butylmorpholin-2-ylmethylcarbamate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NCC1CNCCO1

Technology Process of Tert-butyl (morpholin-2-ylmethyl)carbamate

There total 4 articles about Tert-butyl (morpholin-2-ylmethyl)carbamate 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: 94.0%

(4-benzylmorpholin-2-ylmethyl)carbamic acid tert-butyl ester (146944-34-5) → N-(morpholin-2-ylmethyl)carbamic acid tert-butyl ester (173341-02-1)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 5h;

Reference yield:

(4-benzylmorpholin-2-yl)methanamine (110859-47-7,140646-11-3) → N-(morpholin-2-ylmethyl)carbamic acid tert-butyl ester (173341-02-1)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / dichloromethane / 4 h / 20 °C

2: hydrogen; palladium 10% on activated carbon / methanol / 5 h / 20 °C

With palladium 10% on activated carbon; hydrogen; triethylamine; In methanol; dichloromethane;

Reference yield:

N-benzyl-2-chloromethylmorpholine (40987-25-5,186293-54-9) → N-(morpholin-2-ylmethyl)carbamic acid tert-butyl ester (173341-02-1)

Guidance literature:

Multi-step reaction with 4 steps

1: sodium azide; tetra-(n-butyl)ammonium iodide / N,N-dimethyl-formamide / 12 h / 110 °C

2: triphenylphosphine / tetrahydrofuran; water / 12 h / 0 - 20 °C

3: triethylamine / dichloromethane / 4 h / 20 °C

4: hydrogen; palladium 10% on activated carbon / methanol / 5 h / 20 °C

With sodium azide; palladium 10% on activated carbon; hydrogen; tetra-(n-butyl)ammonium iodide; triethylamine; triphenylphosphine; In tetrahydrofuran; methanol; dichloromethane; water; N,N-dimethyl-formamide;

upstream raw materials:

(4-benzylmorpholin-2-ylmethyl)carbamic acid tert-butyl ester

(4-benzylmorpholin-2-yl)methanamine

N-benzyl-2-chloromethylmorpholine

2-(azidomethyl)-4-benzylmorpholine

Downstream raw materials:

tert-butyl {4-[4-(3,5-dimethyl-phenylsulfanyl)-5-iodo-2-methyl-6-oxo-1,6-dihydropyridin-3-ylmethyl]-morpholin-2-ylmethyl}-carbamate

tert‐butyl ((4‐(5‐(3‐cyanophenyl)‐7H‐pyrrolo[2,3‐d]pyrimidin‐4‐yl)morpholin‐2‐yl)methyl)carbamate

[4-(4-trifluoromethylphenyl)morpholin-2-ylmethyl]carbamic acid tert-butyl ester

3-cyclopropyl-1-({4-[1-(4-methylphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]morpholin-2-yl}methyl)urea