N-BOC-2-(4-BROMO-PHENYL)-ETHYLAMINE

Base Information

• Chemical Name: N-BOC-2-(4-BROMO-PHENYL)-ETHYLAMINE
• CAS No.: 120157-97-3
• Molecular Formula: C13H18BrNO2
• Molecular Weight: 300.195
• Hs Code.: 2924299090
• Mol file: 120157-97-3.mol

Synonyms:Carbamicacid, [2-(4-bromophenyl)ethyl]-,1,1-dimethylethyl ester (9CI);2-(4-Bromophenyl)-N-(t-butoxycarbonyl)ethylamine;N-Boc-4-bromophenethylamine;N-[2-(4-Bromophenyl)ethyl]carbamic acid tert-butyl ester;tert-ButylN-[2-(4-bromophenyl)ethyl]carbamate;

Chemical Property of N-BOC-2-(4-BROMO-PHENYL)-ETHYLAMINE

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 58-59 °C
• Refractive Index: 1.529
• Boiling Point: 389.6 °C at 760 mmHg
• PKA: 12.59±0.46(Predicted)
• Flash Point: 189.4 °C
• PSA: 38.33000
• Density: 1.287 g/cm³
• LogP: 3.90720
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

98%,99%, ^*data from raw suppliers

N-Boc-2-(4-bromophenyl)ethylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: N-Boc-2-(4-bromophenyl)ethylamine is a reagent used in the preparation of second-generation dual inhibitors of Cysteine protease falcipain-?2 (FP-?2) and Plasmodium falciparum dihydrofolate reductase (PfDHFR) which are crucial to malarial parasites. Also used in the preparation of indole-2-carboxamides as novel allosteric modulators of the cannabinoid (CB-1) receptor.

Technology Process of N-BOC-2-(4-BROMO-PHENYL)-ETHYLAMINE

There total 7 articles about N-BOC-2-(4-BROMO-PHENYL)-ETHYLAMINE 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) + 4-Bromophenethylamine (73918-56-6) → t-butyl 2-(4-bromophenyl)ethylcarbamate (120157-97-3)

Guidance literature:

With triethylamine; In isopropyl alcohol; at 20 ℃; for 2h; Inert atmosphere;

Reference yield: 100.0%

→ t-butyl 2-(4-bromophenyl)ethylcarbamate (120157-97-3)

Guidance literature:

Reference yield: 92.0%

4-Bromophenethylamine (73918-56-6) + S-tert-butoxycarbonyl-4,6-dimethyl-2-mercaptopyrimidine (41840-28-2) → t-butyl 2-(4-bromophenyl)ethylcarbamate (120157-97-3)

Guidance literature:

With triethylamine; In 1,4-dioxane; water; for 6h; Ambient temperature;

upstream raw materials:

4-Bromophenethylamine

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

4-Bromophenylacetonitrile

di-tert-butyl dicarbonate

Downstream raw materials:

tert-butyl 2-[4-(1H-imidazol-1-yl)phenyl]ethylcarbamate

4-[2-(tert-butyloxycarbonylamino)ethyl]benzoic acid

tert-butyl 4-(pyridin-2-yl)phenethylcarbamate

2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethan-1-amine

Refernces

• 1、 Liao, Yi,Xu, Liping,Ou, Siyu,Edwards, Holly,Luedtke, Daniel,Ge, Yubin,Qin, Zhihui. "H2O2/Peroxynitrite-Activated Hydroxamic Acid HDAC Inhibitor Prodrugs Show Antileukemic Activities against AML Cells". . p. 635 - 640. Retrieved 2018.
• 2、 -. "COMPOUNDS". Paragraph 0951-0954. . Retrieved 2021/06/26.
• 3、 Du, Yi-Dan,Chen, Bi-Hong,Shu, Wei. "Direct Access to Primary Amines from Alkenes by Selective Metal-Free Hydroamination". supporting information. p. 9875 - 9880. Retrieved 2021/03/29.