N-Boc-N-methyl-3-chloro-1-propanamine

Base Information

• Chemical Name: N-Boc-N-methyl-3-chloro-1-propanamine
• CAS No.: 114326-14-6
• Molecular Formula: C9H18 Cl N O2
• Molecular Weight: 207.7
• Hs Code.: 2924199090
• DSSTox Substance ID: DTXSID90557194
• Wikidata: Q82439021
• Mol file: 114326-14-6.mol

Synonyms:114326-14-6;N-Boc-N-methyl-3-chloro-1-propanamine;tert-butyl N-(3-chloropropyl)-N-methylcarbamate;tert-Butyl (3-chloropropyl)(methyl)carbamate;(3-CHLORO-PROPYL)-METHYL-CARBAMIC ACID TERT-BUTYL ESTER;MFCD09031544;tert-butyl (3-chloropropyl)methylcarbamate;Carbamic acid, N-(3-chloropropyl)-N-methyl-, 1,1-dimethylethyl ester;tert-butyl 3-chloropropyl(methyl)carbamate;Carbamic acid, (3-chloropropyl)methyl-, 1,1-dimethylethyl ester;Carbamic acid,N-(3-chloropropyl)-N-methyl-, 1,1-dimethylethyl ester;SCHEMBL333215;DTXSID90557194;BVGHWHRLCIXJTJ-UHFFFAOYSA-N;AMY39830;AKOS015965233;GS-5539;SY022383;CS-0154817;EN300-316551;N-tert-butoxycarbonyl-N-(3-chloropropyl)-N-methylamine

Chemical Property of N-Boc-N-methyl-3-chloro-1-propanamine

Chemical Property:

• PSA: 29.54000
• LogP: 2.48220
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 207.1026065
• Heavy Atom Count: 13
• Complexity: 166

Purity/Quality:

97% ^*data from raw suppliers

N-Boc-N-methyl-3-chloro-1-propanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N-Boc-N-methyl-3-chloro-1-propanamine

There total 8 articles about N-Boc-N-methyl-3-chloro-1-propanamine 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%

tert-butyl N-(3-chloropropyl)carbamate (116861-31-5) + methyl iodide (74-88-4) → N-(tert-butoxycarbonyl)-N-methyl-3-chloropropylamine (114326-14-6)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; at 0 - 20 ℃;

Reference yield: 100.0%

3-chloro-N-methylpropan-1-amine hydrochloride (97145-88-5) + di-tert-butyl dicarbonate (24424-99-5) → N-(tert-butoxycarbonyl)-N-methyl-3-chloropropylamine (114326-14-6)

Guidance literature:

at 0 - 20 ℃;

DOI:10.3390/md16120481

Reference yield: 96.0%

methyl-3-chloropropylamine (65232-62-4) + di-tert-butyl dicarbonate (24424-99-5) → N-(tert-butoxycarbonyl)-N-methyl-3-chloropropylamine (114326-14-6)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; water; at 0 ℃;

DOI:10.1002/asia.201000025

upstream raw materials:

tert-butyl (3-hydroxypropyl)methylcarbamate

3-chloro-N-methylpropan-1-amine hydrochloride

di-tert-butyl dicarbonate

N-tert-butoxycarbonyl-3-aminopropanol

Downstream raw materials:

C₂₃H₂₅Cl₂N₃O₄

C₂₁H₃₂N₃O₂⁽¹⁺⁾*Cl^(1-)

Methyl-[3-(2-oxo-2-phenyl-ethylsulfanyl)-propyl]-carbamic acid tert-butyl ester

C₂₅H₂₉NO₆

Refernces

• 1、 Zhang, Yexiang,Xu, Yufang,Tan, Shaoying,Xu, Lin,Qian, Xuhong. "Rapid and sensitive fluorescent probes for monoamine oxidases B to A at low concentrations". . p. 6881 - 6884. Retrieved 2013/01/15.
• 2、 -. "QUINAZOLINONE BASED FLUOROGENIC PROBES". Page/Page column 9. . Retrieved 2012/12/13.