4-[(tert-Butoxycarbonyl)amino]butanoic acid

Base Information

• Chemical Name: 4-[(tert-Butoxycarbonyl)amino]butanoic acid
• CAS No.: 57294-38-9
• Molecular Formula: C9H17 N O4
• Molecular Weight: 203.238
• Hs Code.: 2924 19 00
• European Community (EC) Number: 628-652-7
• NSC Number: 164040
• DSSTox Substance ID: DTXSID50304045
• Nikkaji Number: J277.247G
• Wikidata: Q72447904
• Mol file: 57294-38-9.mol

Synonyms:57294-38-9;Boc-GABA-OH;boc-gamma-abu-oh;n-boc-gamma-aminobutyric acid;4-[(tert-Butoxycarbonyl)amino]butanoic acid;4-(Boc-amino)butyric acid;4-tert-Butoxycarbonylaminobutyric acid;4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;4-(tert-Butoxycarbonylamino)butyric acid;N-Boc-4-aminobutyric acid;4-((tert-butoxycarbonyl)amino)butanoic acid;MFCD00037313;butanoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-;4-(tert-butoxycarbonylamino)butanoic acid;4-(t-butoxycarbonylamino)butyric acid;n-t-Butyloxycarbonyl-gamma-aminobutyric acid;n-tert-butoxycarbonyl-gamma-aminobutyric acid;4-[[(tert-butoxy)carbonyl]amino]butanoic acid;4-{[(tert-butoxy)carbonyl]amino}butanoic acid;Butanoic acid, 4-(((1,1-dimethylethoxy)carbonyl)amino)-;boc-4-abu-oh;Boc-GABA;boc-abu(4)-oh;Boc--Abu-OH;Boc-GABA-OH, 97%;Boc-NH-(CH2)3-COOH;gamma-(Boc-amino)butyric acid;SCHEMBL238415;AMY359;N-Boc- gamma -aminobutyric acid;DTXSID50304045;N-t-Boc-.gamma.-aminobutyric acid;tert-Butyl 3-carboxypropylcarbamate;AB6473;BBL008511;NSC164040;STL122207;AKOS000199466;4-(t-butoxycarbonylamino)-butyric acid;4-tert-butoxycarbonylamino-butyric acid;4-tert-Butoxycarbonylaminobutanoic acid;CS-W004697;HY-W004697;NSC-164040;4-tert-butoxycarbonylamino-butanoic acid;4-(tert-butoxycarbonyl-amino)butyric acid;4-(tert-butoxycarbonylamino)-butyric acid;AC-24143;BP-12364;BP-26122;DS-13630;SY041933;4-(tert-butoxycarbonylamino) butanoic acid;4-(tert-butyloxycarbonylamino)butyric acid;4-(tert-Butyloxycarbonylamino)butanoic acid;Boc-GABA-OH, purum, >=99.0% (T);n-(tert-butoxycarbonyl)-4-aminobutyric acid;B4291;FT-0640447;N-tert-butyloxycarbonyl-4-aminobutanoic acid;4-(((t-butyloxy)carbonyl)amino)butanoic acid;4-(Tertiarybutyloxycarbonylamino)butanoic acid;4-[(tert.-butoxycarbonyl)amino]butanoic acid;EN300-14198;4-[(tert-Butoxycarbonyl)amino]butanoic acid #;Butanoic acid,1-dimethylethoxy)carbonyl]amino]-;Z99599036;BUTANOIC ACID,4-AMINO,(N-TERT.BUTYLOXYCARBONYL);F1905-7128;4-({[(1,1-dimethylethyl)oxy]carbonyl}amino)butanoic acid;InChI=1/C9H17NO4/c1-9(2,3)14-8(13)10-6-4-5-7(11)12/h4-6H2,1-3H3,(H,10,13)(H,11,12

Chemical Property of 4-[(tert-Butoxycarbonyl)amino]butanoic acid

Chemical Property:

• Appearance/Colour: White crystalline powder
• Vapor Pressure: 4.4E-06mmHg at 25°C
• Melting Point: 55-59 °C
• Refractive Index: 1.4315 (estimate)
• Boiling Point: 78-82 °C0.2 mm Hg(lit.)
• PKA: 4.70±0.10(Predicted)
• Flash Point: 113 ºC
• PSA: 75.63000
• Density: 1.104g/cm³
• LogP: 1.76680
• Storage Temp.: 2-8°C
• Solubility.: soluble in Methanol
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 203.11575802
• Heavy Atom Count: 14
• Complexity: 207

Purity/Quality:

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

N-Boc-γ-aminobutyricAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 44-36/37/38-22
• Safety Statements: 37/39-26-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NCCCC(=O)O
• Uses: N-Boc-gamma-aminobutyric Acid is used in the preparation of isopropyl-methylcyclohexyl aminobutyrate as a potential anticonvulsant.

Technology Process of 4-[(tert-Butoxycarbonyl)amino]butanoic acid

There total 3 articles about 4-[(tert-Butoxycarbonyl)amino]butanoic 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:

C24H27NO4 → N-(tert-butoxycarbonyl)-4-aminobutanoic acid (57294-38-9) + 9-hydroxymethylanthracene (1468-95-7)

Guidance literature:

With platinum(II) octaethylporphyrin; water; In tetrahydrofuran; Inert atmosphere; Irradiation;

Reference yield:

tert-butyl pyrrolidine-1-carboxylate (86953-79-9) → N-(tert-butoxycarbonyl)-4-aminobutanoic acid (57294-38-9)

Guidance literature:

With ruthenium(IV) oxide; sodium periodate; In tert-butyl alcohol; at 20 ℃; for 4h;

DOI:10.1016/j.tetlet.2008.02.127

Reference yield:

t-butyl 3-(((perylen-3-yl)methoxy)carbonyl)propylcarbamate (1355024-10-0) → N-(tert-butoxycarbonyl)-4-aminobutanoic acid (57294-38-9) + 3-(hydroxymethyl)perylene (24471-30-5)

Guidance literature:

With palladium(II) 5,10,15,20-tetraphenyltetrabenzoporphyrinate; water; In tetrahydrofuran; Reagent/catalyst; Inert atmosphere; Irradiation;

upstream raw materials:

tert-butyl pyrrolidine-1-carboxylate

t-butyl 3-(((perylen-3-yl)methoxy)carbonyl)propylcarbamate

Downstream raw materials:

[3-(3-Benzyloxycarbonylamino-propylcarbamoyl)-propyl]-carbamic acid tert-butyl ester

tert-butyl 4-(4-(2-(diethylamino)ethylcarbamoyl)phenylaminooxy)-4-oxobutylcarbamate

(4,5-dimethoxy-2-nitrophenyl)methyl 4butanoate

(3-{[4-(2-Benzoyl-4-chloro-phenyl)-5-methyl-4H-[1,2,4]triazol-3-ylmethyl]-carbamoyl}-propyl)-carbamic acid tert-butyl ester

Refernces

• 1、 Kaname, Mamoru,Yoshifuji, Shigeyuki,Sashida, Haruki. "Ruthenium tetroxide oxidation of cyclic N-acylamines by a single layer method: formation of ω-amino acids". . p. 2786 - 2788. Retrieved 2008/09/19.