N-Boc-2-bromobenzylamine

Base Information

• Chemical Name: N-Boc-2-bromobenzylamine
• CAS No.: 162356-90-3
• Molecular Formula: C12H16BrNO2
• Molecular Weight: 286.169
• Hs Code.: 2924299090
• European Community (EC) Number: 625-758-5
• DSSTox Substance ID: DTXSID40426987
• Nikkaji Number: J2.425.929C
• Wikidata: Q72448722
• Mol file: 162356-90-3.mol

Synonyms:162356-90-3;N-Boc-2-bromobenzylamine;tert-butyl 2-bromobenzylcarbamate;tert-butyl N-[(2-bromophenyl)methyl]carbamate;(2-Bromo-benzyl)-carbamic acid tert-butyl ester;N-(tert-Butoxycarbonyl)-2-bromobenzylamine;Tert-butyl (2-bromobenzyl)carbamate;MFCD05664385;Carbamic acid, [(2-bromophenyl)methyl]-, 1,1-dimethylethyl ester;(2-Bromobenzyl)carbamic Acid tert-Butyl Ester;Carbamic acid, N-[(2-bromophenyl)methyl]-, 1,1-dimethylethyl ester;1-(tert-butoxycarbonylaminomethyl)-2-bromobenzene;SCHEMBL1329466;tert-butyl-2-bromobenzylcarbamate;DTXSID40426987;N-Boc-2-bromobenzylamine, 97%;DFNZFCPEUDSNEO-UHFFFAOYSA-N;tert-butyl 2-bromoberizylcarbamate;tert-butyl(2-bromobenzyl)carbamate;t-Butyl N-(2-bromobenzyl)carbamate;AR2300;AKOS013101208;CS-W003244;SB34076;N-tert-butoxycarbonyl-2-bromobenzylamine;N-(t-Butoxycarbonyl)-2-bromobenzylamine;AC-27711;AS-45319;SY018574;2-Bromo-N-(tert-butoxycarbonyl)benzylamine;2-bromobenzyl-carbamic acid tert-butyl ester;B4920;FT-0652738;EN300-198583;A810369;J-009927

Chemical Property of N-Boc-2-bromobenzylamine

Chemical Property:

• Vapor Pressure: 1.12E-05mmHg at 25°C
• Melting Point: 50-54 °C(lit.)
• Refractive Index: 1.533
• Boiling Point: 370.3 °C at 760 mmHg
• PKA: 11.87±0.46(Predicted)
• Flash Point: >230 ℉
• PSA: 38.33000
• Density: 1.319 g/cm³
• LogP: 3.86470
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 285.03644
• Heavy Atom Count: 16
• Complexity: 238

Purity/Quality:

99% ^*data from raw suppliers

tert-Butyl2-Bromobenzylcarbamate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn，N
• Hazard Codes: Xn,N
• Statements: 22-36/38-50/53-36/37/38
• Safety Statements: 26-37/39-60-61-36/37/39-22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NCC1=CC=CC=C1Br

Technology Process of N-Boc-2-bromobenzylamine

There total 5 articles about N-Boc-2-bromobenzylamine 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-bromobenzylamine (3959-05-5) → N-(tert-butoxycarbonyl)-2-bromobenzylamine (162356-90-3)

Guidance literature:

With triethylamine; at 20 ℃; for 3h;

Reference yield: 98.0%

di-tert-butyl dicarbonate (24424-99-5) + 2-bromobenzylamine hydrochloride (5465-63-4) → N-(tert-butoxycarbonyl)-2-bromobenzylamine (162356-90-3)

Guidance literature:

With sodium hydrogencarbonate; In tetrahydrofuran; water; at 20 ℃; for 4h;

DOI:10.1248/cpb.57.393

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) + o-bromobenzyl azide (126799-87-9) → N-(tert-butoxycarbonyl)-2-bromobenzylamine (162356-90-3)

Guidance literature:

With triphenylphosphine; In tetrahydrofuran; water;

upstream raw materials:

di-tert-butyl dicarbonate

2-bromobenzylamine hydrochloride

o-bromobenzyl azide

2-bromobenzylamine

Downstream raw materials:

[2-(1H-pyrazol-3-yl)benzyl]carbamic acid tert-butyl ester

3-[2-(tert-butoxycarbonylamino-methyl)-phenyl]-acrylic acid methyl ester

C₂₀H₃₀N₂O₄S

C₂₁H₂₅ClN₂O₄S

Refernces

• 1、 Xu, Cong,Liu, Xiangrong,Xie, Xiongda,Deng, Lin,Xu, Xinfang,Chan, Albert S. C.,Hu, Wenhao. "A Rh(II)- or Ag(I)-Catalyzed Formal C-O Bond Insertion of Cyclic Hemiaminal with Aryl Diazoacetate". supporting information. p. 1957 - 1962. Retrieved 2021/09/22.
• 2、 Cinelli, Maris A.,Reidl, Cory T.,Li, Huiying,Chreifi, Georges,Poulos, Thomas L.,Silverman, Richard B.. "First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate". . p. 4528 - 4554. Retrieved 2020/05/05.