3-(Boc-amino)propyl bromide

Base Information

• Chemical Name: 3-(Boc-amino)propyl bromide
• CAS No.: 83948-53-2
• Molecular Formula: C8H16BrNO2
• Molecular Weight: 238.125
• Hs Code.: 29241990
• European Community (EC) Number: 629-016-1
• DSSTox Substance ID: DTXSID40403511
• Nikkaji Number: J990.207D
• Wikidata: Q72502590
• Mol file: 83948-53-2.mol

Synonyms:83948-53-2;3-(Boc-amino)propyl bromide;tert-Butyl N-(3-bromopropyl)carbamate;tert-Butyl 3-bromopropylcarbamate;3-(Boc-Amino)propylbromide;tert-Butyl (3-bromopropyl)carbamate;(3-bromo-propyl)-carbamic acid tert-butyl ester;N-(3-Bromopropyl)carbamic Acid tert-Butyl Ester;N-tert-butoxycarbonyl-3-bromopropylamine;N-BOC-3-BROMOPROPYLAMINE;MFCD02683429;Tert-butylN-(3-bromopropyl)carbamate;N-Boc-Bromopropylamine;Boc-3-bromopropylamine;Carbamic acid, (3-bromopropyl)-, 1,1-dimethylethyl ester;3-(tert-Butoxycarbonylamino)propyl Bromide;3-Bromopropylcarbamic acid tert-butyl ester;3(BOC-amino)propylbromide;N-Boc 3-bromo-propylamine;SCHEMBL7434;3(BOC-amino) propylbromide;3-(Boc-amino)-propylbromide;N-Boc-3-Aminopropyl Bromide;3-(boc-amino)-propyl bromide;DTXSID40403511;t-butyl (3-bromopropyl)carbamate;IOKGWQZQCNXXLD-UHFFFAOYSA-N;tert-butyl(3 bromopropyl)carbamate;tert-butyl(3-bromopropyl)carbamate;Tert.-butyl-3-bromopropylcarbamate;BCP17308;CS-M1109;tert-butyl (3 bromopropyl)carbamate;AB3341;tert-butoxycarbonylaminopropyl bromide;AKOS015836810;AB12523;AM10010;GS-3838;N-t-butyloxycarbonyl-3-bromopropylamine;3-(t-butoxycarbonylamino)propyl bromide;3-tert-butoxycarbonylaminopropyl bromide;N-(t-butoxycarbonyl)-3-bromopropylamine;tert-butyl N-(3-bromopropyl)-carbamate;tert-butyl N-(3-bromanylpropyl)carbamate;1-tert-butoxycarbonylamino-3-bromopropane;3-bromo-N-tert-butoxycarbonyl-propylamine;AC-25616;SY008330;(tert-butoxy)-n-(3-bromopropyl)carboxamide;1,1-dimethylethyl (3-bromopropyl)carbamate;1-(tert-butoxycarbonylamino)-3-bromopropane;1,1-Dimethylethyl (3-bromopropyl)-carbamate;3-(tert-butyloxycarbonylamino)propyl bromide;3-bromopropyl carbamic acid tert-butyl ester;B2234;FT-0649761;(3-bromopropyl)carbamic acid tert-butyl ester;2-Methyl-2-propanyl (3-bromopropyl)carbamate;2-methyl-2-propyl (3-bromopropyl)-carbamate;N-(t-Butyloxycarbonyl)-1-bromo-3-propylamine;(3-bromo-propyl)-carbamic acid ter-butyl ester;(3-bromo-propyl)carbamic acid tert-butyl ester;(3-bromopropyl)-carbamic acid tert-butyl ester;EN300-195215;3-(Boc-amino)propyl bromide, >=96.0% (GC);3-[(tert-butoxycarbonyl)-amino]-1-bromopropane;A840691;A864195;N-(TERT-BUTOXYCARBONYL)-3-BROMOPROPYLAMINE;J-524531;(3-bromopropyl)-carbamic acid 1,1-dimethylethyl ester

Chemical Property of 3-(Boc-amino)propyl bromide

Chemical Property:

• Appearance/Colour: White low melting solid
• Vapor Pressure: 0.003mmHg at 25°C
• Melting Point: 37-39 °C
• Refractive Index: 1.473
• Boiling Point: 285.286 °C at 760 mmHg
• PKA: 12.48±0.46(Predicted)
• Flash Point: 126.337 °C
• PSA: 38.33000
• Density: 1.279 g/cm³
• LogP: 2.68700
• Storage Temp.: 2-8°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 237.03644
• Heavy Atom Count: 12
• Complexity: 143

Purity/Quality:

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

N-tert-Butoxycarbonyl-3-bromopropylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NCCCBr
• Uses: 3-(Boc-amino)propyl bromide can be used as an alkylating reagent for the synthesis of:Benzydamine analogs to be used as activators for soluble guanylate cyclase.N-substituted chromenotriazolopyrimidine, human murine double minute 2 (MDM2) inhibitor.Protected amines from piperidine derivatives to be further used for synthesis of sulfonamide series.It can also be used for the post-polymerization quaternization of polymers to synthesize functional cationic polymers and antimicrobial agents.

Technology Process of 3-(Boc-amino)propyl bromide

There total 3 articles about 3-(Boc-amino)propyl bromide 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: 84.0%

N-tert-butoxycarbonyl-3-aminopropanol (58885-58-8) → 3-bromopropylamine tert-butylcarbamate (83948-53-2)

Guidance literature:

With carbon tetrabromide; triphenylphosphine; In tetrahydrofuran; at 0 - 20 ℃; for 4h;

DOI:10.1002/chem.200701634

Reference yield: 76.0%

carbon tetrabromide (558-13-4) + N-tert-butoxycarbonyl-3-aminopropanol (58885-58-8) → 3-bromopropylamine tert-butylcarbamate (83948-53-2)

Guidance literature:

With triphenylphosphine; In toluene; at 100 ℃; for 1.5h;

DOI:10.1039/c7ob01346a

Reference yield:

[(3-bromo-propyl)-tert-butoxycarbonyl-amino]-oxo-acetic acid ethyl ester (216959-40-9) → lithium oxalate (553-91-3) + 3-bromopropylamine tert-butylcarbamate (83948-53-2)

Guidance literature:

With lithium hydroxide; In tetrahydrofuran; water; for 3h; Ambient temperature;

DOI:10.1016/S0040-4039(98)01855-3

upstream raw materials:

N-tert-butoxycarbonyl-3-aminopropanol

[(3-bromo-propyl)-tert-butoxycarbonyl-amino]-oxo-acetic acid ethyl ester

carbon tetrabromide

Downstream raw materials:

1-<(tert-Butoxycarbonyl)amino>-3-propane

N-Benzyloxy-acetimidic acid 3-tert-butoxycarbonylamino-propyl ester

(S)-3-[4-(3-tert-Butoxycarbonylamino-propoxy)-3-nitro-phenyl]-2-(2,2,2-trifluoro-acetylamino)-propionic acid tert-butyl ester

methyl (2S)-N-[4-(N-t-butoxycarbonyl)aminopropoxy-5-methoxy-2-nitrobenzoyl]pyrrolidine-2-carboxylate

Refernces

• 1、 -. "Graphene Oxide Cellular Delivery of Hydrophilic Small Molecules". Paragraph 0069; 0071. . Retrieved 2017/04/04.
• 2、 McCallum, Terry,Slavko, Ekaterina,Morin, Mathieu,Barriault, Louis. "Light-mediated deoxygenation of alcohols with a dimeric gold catalyst". supporting information. p. 81 - 85. Retrieved 2015/02/18.