N-Boc-2-chloroethylamine

Base Information

• Chemical Name: N-Boc-2-chloroethylamine
• CAS No.: 71999-74-1
• Molecular Formula: C7H14 Cl N O2
• Molecular Weight: 179.647
• Hs Code.: 2924199090
• European Community (EC) Number: 846-677-3
• DSSTox Substance ID: DTXSID00396531
• Nikkaji Number: J1.642.717I
• Wikidata: Q72510090
• Mol file: 71999-74-1.mol

Synonyms:N-Boc-2-chloroethylamine;71999-74-1;Tert-butyl N-(2-chloroethyl)carbamate;tert-Butyl (2-chloroethyl)carbamate;tert-butyl 2-chloroethylcarbamate;MFCD04004074;2-(Boc-amino)ethyl Chloride;1-Boc-2-chloroethylamine;t-butyl 2-chloroethylcarbamate;SCHEMBL1531287;2-(N-Boc amino)ethyl chloride;DTXSID00396531;t-butyl (2-chloroethyl)carbamate;VACLTXTYDFLHJW-UHFFFAOYSA-N;N-t-butoxycarbonyl-2-chloroethylamine;AKOS005073036;CS-W004916;HD-0717;N-t-butoxycarbonyl-2-chloro-ethylamine;BP-30048;SY046693;AM20100683;FT-0664012;N-(tert-Butyloxycarbonyl)-2-chloroethanamine;(2-Chloroethyl)carbamic acid tert-butyl ester;EN300-113923;F10511;(2-Chloro-ethyl)-carbamic acid tert-butyl ester;J-524353

Chemical Property of N-Boc-2-chloroethylamine

Chemical Property:

• Vapor Pressure: 0.0265mmHg at 25°C
• Melting Point: Oil°
• Refractive Index: 1.445
• Boiling Point: 75℃ (8 Torr)
• PKA: 11.93±0.46(Predicted)
• Flash Point: 103.1°C
• PSA: 38.33000
• Density: 1.07g/cm³
• LogP: 2.14080
• Storage Temp.: Sealed in dry,Store in freezer, under -20°C
• Solubility.: Chloroform (Sparingly), Methanol (Slightly)
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 179.0713064
• Heavy Atom Count: 11
• Complexity: 131

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl(2-Chloroethyl)carbamate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NCCCl
• Uses: tert-Butyl (2-chloroethyl)carbamate is used in the preparation of neurotransmitter receptor agonists with antagonist potential as well as anti-cancer agents.

Technology Process of N-Boc-2-chloroethylamine

There total 6 articles about N-Boc-2-chloroethylamine 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%

di-tert-butyl dicarbonate (24424-99-5) + 2-chloroethanamine hydrochloride (870-24-6) → tert-butyl N-(2-chloroethyl)carbamate (71999-74-1)

Guidance literature:

With sodium hydrogencarbonate; In tetrahydrofuran; water; at -10 - 25 ℃; for 24.5h; Inert atmosphere;

DOI:10.1021/jm5010013

Reference yield: 100.0%

di-tert-butyl dicarbonate (24424-99-5) + chloroethylamine (689-98-5) → tert-butyl N-(2-chloroethyl)carbamate (71999-74-1)

Guidance literature:

With sodium hydrogencarbonate; In tetrahydrofuran; water; at -10 - 20 ℃; for 24h; Inert atmosphere;

Reference yield: 100.0%

di-tert-butyl dicarbonate (24424-99-5) + 2-chloroethylamine hydrochloride → tert-butyl N-(2-chloroethyl)carbamate (71999-74-1)

Guidance literature:

With sodium hydrogencarbonate; In tetrahydrofuran; water; at -10 - 20 ℃;

upstream raw materials:

S-tert-butoxycarbonyl-4,6-dimethyl-2-mercaptopyrimidine

chloroethylamine

di-tert-butyl dicarbonate

2-chloroethanamine hydrochloride

Downstream raw materials:

3-[2-(tert-butoxycarbonylamino)ethoxy]benzonitrile

C₂₁H₂₄N₂O₂

C₂₂H₂₆N₂O₂

C₂₂H₂₆N₂O₂