3-(Boc-amino)-1-propanol

Base Information

• Chemical Name: 3-(Boc-amino)-1-propanol
• CAS No.: 58885-58-8
• Molecular Formula: C8H17NO3
• Molecular Weight: 175.228
• Hs Code.: 29241990
• European Community (EC) Number: 815-020-2
• DSSTox Substance ID: DTXSID30397132
• Nikkaji Number: J659.369K
• Wikidata: Q72503398
• Mol file: 58885-58-8.mol

Synonyms:3-(Boc-amino)-1-propanol;58885-58-8;tert-Butyl N-(3-hydroxypropyl)carbamate;Boc-|A-Ala-ol;tert-butyl 3-hydroxypropylcarbamate;BOC-BETA-ALA-OL;3-(tert-Butoxycarbonylamino)-1-propanol;tert-Butyl (3-hydroxypropyl)carbamate;Carbamic acid, (3-hydroxypropyl)-, 1,1-dimethylethyl ester;MFCD00191883;N-(3-Hydroxypropyl)carbamic Acid tert-Butyl Ester;tert-butyl(3-hydroxypropyl)carbamate;Boc-b-Ala-ol;Boc--Ala-ol;n-boc-3-aminopropanol;Boc-I(2)-Ala-ol;N-Boc-aminopropan-3-ol;3-(Boc-amino)-propanol;3-(n-boc-amino)propanol;3-(Bocamino)-1-propanol;SCHEMBL321315;3-t-butoxycarbonylaminopropanol;3-t-butoxycarbonylamino-propanol;XDJCYKMWJCYQJM-UHFFFAOYSA-;(3-HYDROXY-PROPYL)-CARBAMIC ACID TERT-BUTYL ESTER;3-(t-butoxycarbonylamino)propanol;3-tert-butoxycarbonylaminopropanol;DTXSID30397132;XDJCYKMWJCYQJM-UHFFFAOYSA-N;3-(t-butoxy-carbonylamino)propanol;N-BOC-3-AMINO-1-PROPANOL;N-t-Butoxycarbonyl-3-aminopropanol;t-butyl (3-hydroxypropyl)carbamate;3-(t-butyloxycarbonylamino)propanol;AMY12047;3-(Boc-amino)-1-propanol, 97%;3-(tert-butoxycarbonylamino)propanol;tert-butyl 3-hydroxypropyl-carbamate;AB3433;BBL102890;STL556699;3-(tert-butoxycarbonylamino)-propanol;3-tert-butoxycarbonylamino-1-propanol;AKOS009157225;t-butyl n-(3-hydroxypropyl)-carbamate;AB04630;CS-W020201;n-t-butyloxycarbonyl-3amino-1-propanol;t-butyl-N-(3-hydroxypropyl)-carbamate;3-{(t-butoxycarbonyl)amino}-1-propanol;BP-13181;BP-31212;DS-12499;SY032553;tert-Butyl N-(3-hydroxypropyl)-carbamate;3-(N-tert-butoxycarbonylamino)-1-propanol;N-(tert-Butyloxycarbonyl)-3-aminopropanol;3-[(tert-butoxycarbonyl)amino]-1-propanol;3-[(tert-butoxycarbonyl)-amino]-1-propanol;3-hydroxypropylcarbamic acid tert-butyl ester;A8307;BB 0263068;FT-0655093;H0900;N-(tert-butoxycarbonyl)-3-hydroxypropylamine;1,1-dimethylethyl (3-hydroxypropyl)carbamate;EN300-52342;(3-hydroxypropyl)carbamic acid tert-butyl ester;(3-hydroxypropyl)-carbamic acid tert-butyl ester;J-510819;n-(3-hydroxypropyl)-carbamic acid tert-butyl ester;Z425732904;N-Boc-3-amino-1-propanol;InChI=1/C8H17NO3/c1-8(2,3)12-7(11)9-5-4-6-10/h10H,4-6H2,1-3H3,(H,9,11)

Chemical Property of 3-(Boc-amino)-1-propanol

Chemical Property:

• Appearance/Colour: colorless to yellow or brown liquid
• Vapor Pressure: 0.000194mmHg at 25°C
• Refractive Index: n20/D 1.453
• Boiling Point: 292.6 °C at 760 mmHg
• PKA: 12.57±0.46(Predicted)
• Flash Point: 130.7 °C
• PSA: 58.56000
• Density: 1.028 g/cm³
• LogP: 1.28440
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 175.12084340
• Heavy Atom Count: 12
• Complexity: 140

Purity/Quality:

98% ^*data from raw suppliers

N-Boc-3-aminopropanol ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 23-24/25-37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NCCCO

Technology Process of 3-(Boc-amino)-1-propanol

There total 20 articles about 3-(Boc-amino)-1-propanol 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) + sodium hydrogencarbonate (144-55-8) + propan-1-ol-3-amine (156-87-6) → N-tert-butoxycarbonyl-3-aminopropanol (58885-58-8)

Guidance literature:

In 4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran;

Reference yield: 100.0%

→ N-tert-butoxycarbonyl-3-aminopropanol (58885-58-8)

Guidance literature:

Reference yield: 99.2%

di-tert-butyl dicarbonate (24424-99-5) + 3-bromopropylamine hydrochloride (5003-71-4) → N-tert-butoxycarbonyl-3-aminopropanol (58885-58-8)

Guidance literature:

In dichloromethane; triethylamine; at 20 ℃; for 3h;

upstream raw materials:

N-(tert-butyloxycarbonyl) azide

propan-1-ol-3-amine

3-(tert-butyloxycarbonylamino)propionic acid

N-tert-butoxycarbonylprop-2-en-1-amine

Downstream raw materials:

N-(tert-butoxycarbonyl)-3-aminopropanal

N-(tert-butoxycarbonyl)-3-aminopropyl indole-3-carboxylate

C₂₃H₃₀N₂O₅

C₂₃H₂₉N₃O₇

Refernces

• 1、 Ahn, Deok Kyun,Kang, Young Woo,Woo, Sang Kook. "Oxidative Deprotection of p-Methoxybenzyl Ethers via Metal-Free Photoredox Catalysis". . p. 3612 - 3623. Retrieved 2019/03/11.
• 2、 Millet, Anthony,Dailler, David,Larini, Paolo,Baudoin, Olivier. "Ligand-controlled α- And β-arylation of acyclic N-boc amines". supporting information. p. 2678 - 2682. Retrieved 2014/03/21.