Boc-Asp(OcHx)-OH

Base Information

• Chemical Name: Boc-Asp(OcHx)-OH
• CAS No.: 73821-95-1
• Molecular Formula: C15H25NO6
• Molecular Weight: 315.367
• Hs Code.: 29242990
• European Community (EC) Number: 692-604-1
• Nikkaji Number: J330.748D
• Mol file: 73821-95-1.mol

Synonyms:73821-95-1;Boc-Asp(OcHx)-OH;Boc-Asp(OcHex)-OH;N-Boc-L-aspartic Acid 4-Cyclohexyl Ester;(S)-2-((tert-butoxycarbonyl)amino)-4-(cyclohexyloxy)-4-oxobutanoic acid;(2S)-4-cyclohexyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid;Boc-L-aspartic acid b-cyclohexyl ester;Boc-L-aspartic acid 4-cyslohexyl ester;MFCD00061996;Boc-Asp(O-cHex);SCHEMBL7109105;4-Cyclohexyl N-Boc-L-aspartate;NLPQIWFEEKQBBN-NSHDSACASA-N;AKOS015922973;AC-8611;CS-W012040;HY-W011324;DS-13575;PD196813;Boc-Asp(OcHx)-OH, >=98.0% (T);C2535;I10381;4-Cyclohexyl N-(tert-Butoxycarbonyl)-L-aspartate;N-alpha-t-Boc-L-aspartic acid beta-cyclohexyl ester;N-(tert-Butoxycarbonyl)-L-aspartic Acid 4-Cyclohexyl Ester;(S)-2-(tert-butoxycarbonylamino)-4-(cyclohexyloxy)-4-oxobutanoic acid;N-alpha-t-Butyloxycarbonyl-L-aspartic acid beta-cyclohexyl ester (Boc-L-Asp(OcHex)-OH)

Chemical Property of Boc-Asp(OcHx)-OH

Chemical Property:

• Vapor Pressure: 1.12E-10mmHg at 25°C
• Melting Point: 93-95 °C
• Refractive Index: 1.498
• Boiling Point: 487.2 °C at 760 mmHg
• PKA: 3.66±0.23(Predicted)
• Flash Point: 248.4 °C
• PSA: 101.93000
• Density: 1.18 g/cm³
• LogP: 2.62120
• Storage Temp.: −20°C
• Solubility.: soluble in Methanol
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 315.16818752
• Heavy Atom Count: 22
• Complexity: 409

Purity/Quality:

98% ^*data from raw suppliers

Boc-L-aspartic acid-beta-cyclohexyl ester ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC(CC(=O)OC1CCCCC1)C(=O)O
• Isomeric SMILES: CC(C)(C)OC(=O)N[C@@H](CC(=O)OC1CCCCC1)C(=O)O
• Uses: Boc-L-Asp(OcHx)-OH, is an aspartic acid derivative, that can be used in various chemical synthesis and peptide chemistry.

Technology Process of Boc-Asp(OcHx)-OH

There total 12 articles about Boc-Asp(OcHx)-OH 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: 97.0%

→ Boc-Asp(O-cyclohexyl)-OH (73821-95-1)

Guidance literature:

With trimethyltin(IV) hydroxide; In 1,2-dichloro-ethane; for 12h; Heating;

DOI:10.1016/S0040-4020(98)00805-9

Reference yield: 94.0%

Boc-Asp(OChx)-ONbN (134757-75-8) → Boc-Asp(O-cyclohexyl)-OH (73821-95-1)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran; Ambient temperature;

DOI:10.1021/jo00018a052

Reference yield: 92.0%

Boc-Asp(OChx)-OCet (130052-02-7) → Boc-Asp(O-cyclohexyl)-OH (73821-95-1)

Guidance literature:

With piperidine; In acetonitrile; for 12h; Ambient temperature; or with 1,8-diazobicyclo<5.4.0>undec-7-ene in dioxane;

DOI:10.1007/BF00607542

upstream raw materials:

di-tert-butyl dicarbonate

β-cyclohexyl L-aspartate

Boc-Asp(OChx)-OCet

Boc-Asp(OChx)-ONbN

Downstream raw materials:

Boc-Asp(OcHex)-Ser(Bzl)-OBzl

Boc-Gln-Tyr(Br-Z)-Arg(Tos)-Asp(OcHex)-Leu-OPac

H-Asp(OcHex)-Leu-OPac

H-Arg(Tos)-Asp(OcHex)-Leu-OPac

Refernces

• 1、 Furlan, Ricardo L. E.,Mata, Ernesto G.,Mascaretti, Oreste A.,Pena, Clara,Coba, Marcelo P.. "Selective detachment of Boc-protected amino acids and peptides from Merrifield, PAM and Wang resins by trimethyltin hydroxide". . p. 13023 - 13034. Retrieved 2007/10/03.
• 2、 Toth,Penke. "An improved method for the preparation of ω-cyclohexyl esters of aspartic and glutamic acid". . p. 361 - 362. Retrieved 2007/10/02.