N-(3-Aminopropyl)-N-methylcarbamic acid tert-butyl ester

Base Information

• Chemical Name: N-(3-Aminopropyl)-N-methylcarbamic acid tert-butyl ester
• CAS No.: 150349-36-3
• Molecular Formula: C9H20N2O2
• Molecular Weight: 188.27
• Hs Code.: 2924199090
• European Community (EC) Number: 672-444-9
• DSSTox Substance ID: DTXSID70373415
• Wikidata: Q72502284
• Mol file: 150349-36-3.mol

Synonyms:150349-36-3;N-(3-Aminopropyl)-N-methylcarbamic acid tert-butyl ester;tert-butyl N-(3-aminopropyl)-N-methylcarbamate;3-(N-Boc-N-methylamino)propylamine;tert-Butyl (3-aminopropyl)(methyl)carbamate;tert-butyl 3-aminopropyl(methyl)carbamate;N-(3-Amino-propyl)-n-methylcarbamic acid t-butyl ester;n-boc-n-methyl-1,3-diaminopropane;3-(n-tert-butoxycarbonyl-n-methylamino)propylamine;MFCD01631189;Carbamic acid, (3-aminopropyl)methyl-, 1,1-dimethylethyl ester;(3-amino-propyl)-methyl-carbamic acid tert-butyl ester;carbamic acid, n-(3-aminopropyl)-n-methyl-, 1,1-dimethylethyl ester;SCHEMBL55404;boc-n-me-1,3-diaminopropane;tert-Butyl N-(3-aminopropyl)-N-(methyl)carbamate;N-(3-Aminopropyl)-N-methylcarbamicacidtert-butylester;DTXSID70373415;PNQYAMWGTGWJDW-UHFFFAOYSA-N;CS-B0431;AKOS000208313;AC-6572;N1-Boc-N1-Methyl-1,3-diaminopropane;AM803248;BS-13824;SY007222;tert-butyl (3-aminopropyl)methylcarbamate;tert-butyl(3-aminopropyl)(methyl)carbamate;A3307;FT-0630016;EN300-37330;1,1-dimethylethyl (3-aminopropyl)methylcarbamate;A850955;N-t-Butyloxycarbonyl-N-methyl-1,3-diaminopropane;(3-aminopropyl)methylcarbamic acid tert-butyl ester;N-(3-Aminopropyl)-N-methylcarbamic acid tertbutylester;N-(3-Aminopropyl)N-methylcarbamic acid tert-butylester;F2199-0315;N-(3-Aminopropyl)-N-methylcarbamic acid tertbutyl ester;n-(3-aminopropyl)-n-methyl carbamic acid tert-butyl ester;n-(4-aminopropyl)-n-methyl carbamic acid tert-butyl ester;N-(3-aminopropyl)-N-Methylcarbamic acid tert-butyl ester, AldrichCPR

Chemical Property of N-(3-Aminopropyl)-N-methylcarbamic acid tert-butyl ester

Chemical Property:

• Boiling Point: 254.609 °C at 760 mmHg
• PKA: 10.06±0.10(Predicted)
• Flash Point: 107.784 °C
• PSA: 55.56000
• Density: 0.982 g/cm³
• LogP: 1.90240
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Water Solubility.: Slightly soluble in water.
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 188.152477885
• Heavy Atom Count: 13
• Complexity: 164

Purity/Quality:

99% ^*data from raw suppliers

tert-Butyl3-Aminopropyl(methyl)Carbamate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:
• Hazard Codes: Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N(C)CCCN

Technology Process of N-(3-Aminopropyl)-N-methylcarbamic acid tert-butyl ester

There total 7 articles about N-(3-Aminopropyl)-N-methylcarbamic acid tert-butyl ester 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: 87.0%

N1-tert-butoxycarbonyl-N1-methyl-N2-phthalyl-1,3-propanediamine (1198081-75-2) → (3-amino-propyl)-methyl-carbamic acid tert-butyl ester (150349-36-3)

Guidance literature:

With hydrazine hydrate; In methanol; at 60 ℃; for 4.5h; Reflux;

DOI:10.1080/00304940903077998

Reference yield: 43.0%

di-tert-butyl dicarbonate (24424-99-5) + N-Methyl-1,3-propanediamine (6291-84-5) → (3-amino-propyl)-methyl-carbamic acid tert-butyl ester (150349-36-3)

Guidance literature:

With hydrogenchloride; In methanol; water; at 0 - 20 ℃; for 1h;

DOI:10.1016/j.bmcl.2015.12.010

Reference yield: 8.0%

di-tert-butyl dicarbonate (24424-99-5) + N-Methyl-1,3-propanediamine (6291-84-5) → N-(3-methylaminopropyl)carbamic acid tert-butyl ester (442514-22-9) + (3-amino-propyl)-methyl-carbamic acid tert-butyl ester (150349-36-3)

Guidance literature:

In tetrahydrofuran; at 0 - 20 ℃; for 18h;

upstream raw materials:

[3-(1,3-dioxo-1,3-dihydroisoindol-2-yl)propyl]carbamic acid tert-butyl ester

methyl iodide

di-tert-butyl dicarbonate

N-Methyl-1,3-propanediamine

Downstream raw materials:

C₁₆H₂₆N₂O₂

C₁₆H₂₄ClN₅O₂

pyridine

N-(Methyl)-N-[3-[(4-cyanophenyl)carbonylamino]propyl]carbamic acid 1,1-dimethylethyl ester

Refernces

• 1、 -. "3,4-DIHYDROQUINAZOLINE DERIVATIVE AND COMBINATION COMPRISING THE SAME". Paragraph 0023; 0046; 0047; 0048. . Retrieved 2017/04/11.
• 2、 Choi, Doo Li,Jang, Sun Jeong,Cho, Sehyeon,Choi, Hye-Eun,Rim, Hong-Kun,Lee, Kyung-Tae,Lee, Jae Yeol. "Inhibition of cellular proliferation and induction of apoptosis in human lung adenocarcinoma A549 cells by T-type calcium channel antagonist". . p. 1565 - 1570. Retrieved 2014/03/21.