2-((tert-Butoxycarbonyl)amino)propanoic acid

Base Information

• Chemical Name: 2-((tert-Butoxycarbonyl)amino)propanoic acid
• CAS No.: 3744-87-4
• Molecular Formula: C₈H₁₅NO₄
• Molecular Weight: 189.211
• Hs Code.: 29241990
• European Community (EC) Number: 846-704-9
• NSC Number: 108686
• Nikkaji Number: J1.293.181F
• Mol file: 3744-87-4.mol

Synonyms:3744-87-4;Boc-DL-Ala-OH;BOC-DL-ALANINE;2-((tert-Butoxycarbonyl)amino)propanoic acid;n-boc-dl-alanine;N-(tert-Butoxycarbonyl)alanine;tert-Butoxycarbonyl-DL-alanine;N-Boc-D-alanine;2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;2-(tert-butoxycarbonylamino)propanoic acid;2-[(tert-butoxycarbonyl)amino]propanoic acid;MFCD00063124;N-(tert-Butoxycarbonyl)-L-alanine-1-13C;335081-02-2;L-ALANINE-13C3, N-T-BOC DERIVATIVE (99 &;L-Alanine-15N, N-[(1,1-dimethylethoxy)carbonyl]-;2-([(tert-Butoxy)carbonyl]amino)propanoic acid;2-{[(tert-butoxy)carbonyl]amino}propanoic acid;bocalanine;MFCD00063123;2-N-BOC-AMINO-PROPIONIC ACID;NSC108686;(2R)-2-(tert-butoxycarbonylamino)propanoic acid;2-tert-Butoxycarbonylamino-propionic acid;2-N-Boc-aminopropionic acid;Boc-DL-Ala-OH, AldrichCPR;SCHEMBL148100;(tert-Butoxycarbonyl)DL-alanine;N-(t-butoxycarbonyl)-dl-alanine;QVHJQCGUWFKTSE-UHFFFAOYSA-N;CS-D1433;HY-Y0920;2-t-butoxycarbonylaminopropionic acid;N-(tert-butoxycarbonyl)-D,L-alanine;STK391767;2-t-butoxycarbonylamino propionic acid;2-t-butoxycarbonylamino-propionic acid;AKOS000170864;AKOS016041391;AB01637;AB02516;NSC-108686;tert.-butoxycarbonylamino-propionic acid;AC-24135;AS-11198;SY001739;SY001845;SY021484;2-[(t-butoxycarbonyl)amino]propanoic acid;2-(tert-butoxycarbonylamino)-propionic acid;AM20090496;FT-0635002;FT-0636593;FT-0637269;FT-0663423;(R/S)-2-tertbutoxycarbonylaminopropionic acid;EN300-29800;M06166;2-{[(tert-butoxy)carbonyl]amino}-propanoic acid;A823657;racemic (R/S)-2-tertbutoxycarbonylaminopropionic acid;Z285919560;Boc-Ala-OH-15N;N-(tert-Butoxycarbonyl)-L-alanine-15N;L-Alanine-15N,N-t-Bocderivative;139952-87-7;BOC-[15N]ALA-OH;489913_ALDRICH

Chemical Property of 2-((tert-Butoxycarbonyl)amino)propanoic acid

Chemical Property:

• Appearance/Colour: White to off-white powder
• Melting Point: 109 °C
• Boiling Point: 320.9 °C at 760 mmHg
• PKA: 4.02±0.10(Predicted)
• Flash Point: 147.9 °C
• PSA: 75.63000
• Density: 1.126 g/cm³
• LogP: 1.37510
• Storage Temp.: Store at 0°C
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 189.10010796
• Heavy Atom Count: 13
• Complexity: 207

Purity/Quality:

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

Boc-DL-alanine ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-((tert-Butoxycarbonyl)amino)propanoic acid

There total 43 articles about 2-((tert-Butoxycarbonyl)amino)propanoic acid 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%

D-Alanine (338-69-2,25191-17-7,18875-37-1) + di-tert-butyl dicarbonate (24424-99-5) → Boc-(R)-Ala (3744-87-4,7764-95-6,15761-38-3)

Guidance literature:

D-Alanine; With sodium hydroxide; In water; at 0 ℃; for 0.166667h;

di-tert-butyl dicarbonate; In tetrahydrofuran; water; at 20 ℃;

Reference yield: 85.0%

(R)-benzo[a]acridin-12-ylmethyl 2-(tert-butoxycarbonylamino)propanoate (1609956-66-2) → Boc-(R)-Ala (3744-87-4,7764-95-6,15761-38-3) + (benzo[a]acridin-12-yl)methanol (1609956-67-3)

Guidance literature:

In water; acetonitrile; for 7.75h; Quantum yield; Photolysis; Inert atmosphere;

DOI:10.1039/c3ob42600a

Reference yield: 75.0%

(R)-2-tertbutoxycarbonylamino-1-propanol (79069-13-9,127516-56-7,147252-84-4,106391-86-0) → Boc-(R)-Ala (3744-87-4,7764-95-6,15761-38-3)

Guidance literature:

With ruthenium trichloride; sodium periodate; In tetrachloromethane; water; acetonitrile; at 0 - 20 ℃; for 1h;

DOI:10.1016/S0040-4039(02)02433-4

upstream raw materials:

tert-Butyl 4-nitrophenyl carbonate

rac-Ala-OH

tert-butyl alcohol

C₁₁H₁₉NO₆

Downstream raw materials:

N-tert-butoxycarbonyl-DL-alanine (SR)-3-oxo-2-trityl-isoxazolidin-4-ylamide

N-tert-butoxycarbonyl-DL-alanine (RS)-3-oxo-2-trityl-isoxazolidin-4-ylamide

(6R)-3-benzyl-7t-[(N-tert-butoxycarbonyl-D-alanyl)-amino]-8-oxo-(6rH)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester

N--N,N'-dicyclohexyl-harnstoff

Refernces

• 1、 -. "SPIRO-LACTAM COMPOUNDS AND METHODS OF TREATING VIRAL INFECTIONS USING THE SAME". Page/Page column 100; 106. . Retrieved 2021/12/28.
• 2、 de Castro, Pedro P.,Siqueira, Raoni P.,Conforte, Luiza,Franco, Chris H.J.,Bressan, Gustavo C.,Amarante, Giovanni W.. "Cytotoxic activity of synthetic chiral amino acid derivatives". . p. 193 - 200. Retrieved 2019/12/28.