tert-Butyl 3-(methylamino)propylcarbamate

Base Information

• Chemical Name: tert-Butyl 3-(methylamino)propylcarbamate
• CAS No.: 442514-22-9
• Molecular Formula: C9H20N2O2
• Molecular Weight: 188.27
• Hs Code.: 2924199090
• European Community (EC) Number: 810-311-0
• DSSTox Substance ID: DTXSID00461899
• Nikkaji Number: J1.390.768D
• Wikidata: Q72503612
• Mol file: 442514-22-9.mol

Synonyms:442514-22-9;tert-Butyl 3-(methylamino)propylcarbamate;TERT-BUTYL (3-(METHYLAMINO)PROPYL)CARBAMATE;tert-butyl N-[3-(methylamino)propyl]carbamate;(3-Methylamino-propyl)-carbamic acid tert-butyl ester;1-(Boc-amino)-3-(methylamino)propane;MFCD06808586;RALOXTMQMonomer;Carbamic acid, [3-(methylamino)propyl]-, 1,1-dimethylethyl ester;SCHEMBL694362;N-[3-(methylamino)propyl]carbamic acid tert-butyl ester;DTXSID00461899;YIMSPDZAVBIXRT-UHFFFAOYSA-N;AMY32648;CS-B0432;AKOS005259866;SB37205;DS-13098;SY007223;t-Butyl (3-(methylamino)propyl)carbamate;BB 0261281;FT-0646232;EN300-80683;1-Boc-amino-3-methylamino-propane, AldrichCPR;A26799;1-(tert-Butoxycarbonylamino)-3-methylaminopropane;A826518;TERT-BUTYL(3-(METHYLAMINO)PROPYL)CARBAMATE;(3-methylaminopropyl)carbamic acid tert-butyl ester;Z439697934;tert-Butyl (3-(methylamino)propyl)carbamate

Chemical Property of tert-Butyl 3-(methylamino)propylcarbamate

Chemical Property:

• Vapor Pressure: 0.00381mmHg at 25°C
• Refractive Index: 1.444
• Boiling Point: 280.3 °C at 760 mmHg
• PKA: 12.82±0.46(Predicted)
• Flash Point: 123.3 °C
• PSA: 50.36000
• Density: 0.95 g/cm³
• LogP: 1.90240
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 188.152477885
• Heavy Atom Count: 13
• Complexity: 152

Purity/Quality:

99% ^*data from raw suppliers

tert-Butyl3-(Methylamino)propylcarbamate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NCCCNC
• Use Description: Tert-butyl 3-(methylamino)propylcarbamate, a chemical compound, serves various purposes across different fields. In the pharmaceutical industry, it can be employed as an intermediate or building block in the synthesis of pharmaceutical compounds, contributing to drug development and manufacturing processes. Its versatile structure may enable the creation of drug candidates with improved pharmacological properties. In the realm of organic chemistry research, tert-Butyl 3-(methylamino)propylcarbamate serves as a valuable substrate for investigating reaction mechanisms and conducting studies in synthetic chemistry, aiding in the development of new materials and chemical processes. Additionally, in academic and industrial laboratories, it may find use as a reference material for analytical purposes and structural elucidation. Its multifaceted contributions underscore its significance in pharmaceuticals, chemical research, and academia, driving progress and innovation in these diverse fields.

Technology Process of tert-Butyl 3-(methylamino)propylcarbamate

There total 7 articles about tert-Butyl 3-(methylamino)propylcarbamate 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: 100.0%

3-bromopropylamine tert-butylcarbamate (83948-53-2) + methylamine (74-89-5) → N-(3-methylaminopropyl)carbamic acid tert-butyl ester (442514-22-9)

Guidance literature:

In tetrahydrofuran; at 23 ℃; for 72h;

DOI:10.1016/j.bmc.2018.12.026

Reference yield: 67.0%

1,1'-carbonyldiimidazole (530-62-1) + N-Methyl-1,3-propanediamine (6291-84-5) + tert-butyl alcohol (75-65-0) → N-(3-methylaminopropyl)carbamic acid tert-butyl ester (442514-22-9)

Guidance literature:

1,1'-carbonyldiimidazole; tert-butyl alcohol; With potassium hydroxide; In toluene; at 60 ℃; for 3h; Inert atmosphere;

N-Methyl-1,3-propanediamine; In toluene; at 60 ℃; for 3h;

Reference yield: 67.0%

tert-butyl 1H-imidazole-1-carboxylate (49761-82-2) + N-Methyl-1,3-propanediamine (6291-84-5) → N-(3-methylaminopropyl)carbamic acid tert-butyl ester (442514-22-9)

Guidance literature:

In toluene; at 60 ℃; for 3h;

upstream raw materials:

tert-butyl 1H-imidazole-1-carboxylate

N-Methyl-1,3-propanediamine

di-tert-butyl dicarbonate

3-bromopropylamine tert-butylcarbamate

Downstream raw materials:

tert-butyl-N-(3-{methyl[3-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)propyl]amino}propyl)carbamate

tert-butyl-N-(3-{methyl[3-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)butyl]amino}propyl)carbamate

(2-{[(3-tert-butoxycarbonylamino-propyl)-methyl-amino]-methyl}-phenyl)-boronic acid

{3-[(3-chloro-[1,2,4]thiadiazol-5-yl)-methyl-amino]-propyl}-carbamic acid tert-butyl ester

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