1-((tert-Butoxycarbonyl)amino)cyclobutanecarboxylic acid

Base Information

• Chemical Name: 1-((tert-Butoxycarbonyl)amino)cyclobutanecarboxylic acid
• CAS No.: 120728-10-1
• Molecular Formula: C10H17NO4
• Molecular Weight: 215.249
• Hs Code.: 29242990
• DSSTox Substance ID: DTXSID00363748
• Nikkaji Number: J2.033.992F
• Wikidata: Q72447995
• Mol file: 120728-10-1.mol

Synonyms:120728-10-1;N-Boc-1-aminocyclobutanecarboxylic acid;1-((tert-Butoxycarbonyl)amino)cyclobutanecarboxylic acid;1-(Boc-amino)cyclobutanecarboxylic acid;Boc-1-aminocyclobutane-1-carboxylic acid;Boc-1-amino-1-cyclobutanecarboxylic acid;1-N-Boc-amino-cyclobutane carboxylic acid;N-Boc-1-aminocyclobutane carboxylic acid;1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic Acid;1-{[(tert-butoxy)carbonyl]amino}cyclobutane-1-carboxylic acid;MFCD02682623;1-(tert-butoxycarbonylamino)cyclobutanecarboxylic acid;1-tert-Butoxycarbonylamino-cyclobutanecarboxylic acid;Boc-1-Aminocyclobutanecarboxylic acid;boc-1-amino-1-cyclobutane carboxylic acid;Cyclobutanecarboxylic acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-;1-Aminocyclobutyl-1-carboxylic acid, N-BOC protected;1-[(tert-butoxycarbonyl)amino]cyclobutanecarboxylic acid;1-((tert-butoxycarbonyl)amino)cyclobutane-1-carboxylic acid;1-[(tert-butoxycarbonyl)amino]cyclobutane-1-carboxylic acid;boc-acbc-oh;Boc-Acb(1)-OH;SCHEMBL202837;DTXSID00363748;BCP21384;CS-M2532;BBL102875;STL556683;1-BOC-aminocyclobutanecarboxylic acid;AKOS013153309;tert-butyl 1-carboxycyclobutylcarbamate;AC-5715;SB12347;AM803036;DS-12107;SY002608;1-(Boc-amino)cyclobutane-1-carboxylic acid;A2527;B6086;FT-0649714;EN300-111901;N-Boc-1-aminocyclobutane carboxylic acid, 97%;1-(tert-butoxycarbonyl)cyclobutanecarboxylic acid;1-tert-butoxycarbonylaminocyclobutanecarboxylic acid;Q-102250;N-tert-Butoxycarbonyl-1-aminocyclobutanecarboxylic Acid;1-((tert-Butoxycarbonyl)amino)cyclobutanecarboxylicacid;1-(tert-Butoxycarbonylamino)cyclobutane carboxylic acid;1-(t-butyloxycarbonyl-amino)-cyclobutyl-1-carboxylic acid;1-(tert-butoxy-carbonylamino)-cyclobutane-1-carboxylic acid;1-(tert-Butoxycarbonylamino)cyclobutane-1-carboxylic acid;1-((1,1-Dimethylethoxycarbonyl)amino)cyclobutanecarboxylic acid;1-({[(1,1-dimethylethyl)oxy]carbonyl}amino)cyclobutanecarboxylic acid;1-(Boc-amino)cyclobutanecarboxylic Acid

Chemical Property of 1-((tert-Butoxycarbonyl)amino)cyclobutanecarboxylic acid

Chemical Property:

• Vapor Pressure: 3.16E-06mmHg at 25°C
• Melting Point: 129-133 °C(lit.)
• Boiling Point: 362.1 °C at 760 mmHg
• PKA: 4.14±0.20(Predicted)
• Flash Point: 172.8 °C
• PSA: 75.63000
• Density: 1.18 g/cm³
• LogP: 1.90930
• Storage Temp.: 2-8°C
• Solubility.: soluble in Methanol
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 215.11575802
• Heavy Atom Count: 15
• Complexity: 276

Purity/Quality:

99% ^*data from raw suppliers

Boc-1-aminocyclobutane-1-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC1(CCC1)C(=O)O
• Uses: Boc-1-aminocyclobutane-1-carboxylic Acid is used in the synthesis of dipeptidyl nitriles with cathepsin-inhibiting activities. It is also used to prepare alkyl-oxo-aryl amides as novel antagonists of TRPA1 receptor.

Technology Process of 1-((tert-Butoxycarbonyl)amino)cyclobutanecarboxylic acid

There total 10 articles about 1-((tert-Butoxycarbonyl)amino)cyclobutanecarboxylic 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: 91.0%

ethyl 1-[(tert-butoxycarbonyl)amino]cyclobutanecarboxylate (163554-54-9) → 1-[(tert-butoxycarbonyl)amino]cyclobutanecarboxylic acid (120728-10-1)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; at 40 ℃;

DOI:10.1081/SCC-120027708

Reference yield: 75.0%

di-tert-butyl dicarbonate (24424-99-5) + 1-aminocyclobutane-1-carboxylic acid (22264-50-2) → 1-[(tert-butoxycarbonyl)amino]cyclobutanecarboxylic acid (120728-10-1)

Guidance literature:

With sodium hydrogencarbonate; In 1,4-dioxane; water; at 0 - 20 ℃; for 12h;

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) + ethyl 1-aminocyclobutanecarboxylate (285570-26-5) → 1-[(tert-butoxycarbonyl)amino]cyclobutanecarboxylic acid (120728-10-1)

Guidance literature:

ethyl 1-aminocyclobutanecarboxylate; With hydrogenchloride; water; for 2h; Reflux;

di-tert-butyl dicarbonate; With water; sodium hydroxide; In tetrahydrofuran;

With phosphoric acid; In water; pH=3;

upstream raw materials:

di-tert-butyl dicarbonate

1-aminocyclobutane-1-carboxylic acid

ethyl 1-[(tert-butoxycarbonyl)amino]cyclobutanecarboxylate

ethyl 1-bromocyclobutane-1-carboxylate

Downstream raw materials:

1-amino-N-(6-{[4-methyl-3-(methyloxy)phenyl]oxy}-3-pyridinyl)cyclobutanecarboxamide

7-(6-{[4-methyl-3-(methyloxy)phenyl]oxy}-3-pyridinyl)-5,7-diazaspiro[3,4]octane-6,8-dione

1,1-dimethylethyl (1-{[(6-{[4-methyl-3-(methyloxy)phenyl]oxy}-3-pyridinyl)amino]carbonyl}cyclobutyl)carbamate

(S)-tert-butyl 1-(1-amino-3-(4'-cyanobiphenyl-4-yl)-1-oxopropan-2-ylcarbamoyl)cyclobutylcarbamate

Refernces

• 1、 -. "CYCLOPROPYLAMINE COMPOUND AS LSD1 INHIBITOR AND USE THEREOF". Paragraph 0229-0231. . Retrieved 2021/07/24.
• 2、 -. "NOVEL SUBSTITUTED AMIDES OF TRITERPENE DERIVATIVES AS HIV INHIBITORS". Page/Page column 26. . Retrieved 2017/02/28.