Methyl 2-amino-4-methylpentanoate hydrochloride

Base Information

• Chemical Name: Methyl 2-amino-4-methylpentanoate hydrochloride
• CAS No.: 5845-53-4
• Molecular Formula: C₇H₁₆NO₂*Cl
• Molecular Weight: 181.663
• Hs Code.: 29224999
• European Community (EC) Number: 228-681-1
• NSC Number: 522846,522233,32110
• Mol file: 5845-53-4.mol

Synonyms:6322-53-8;H-DL-Leu-OMe HCl;methyl 2-amino-4-methylpentanoate hydrochloride;H-DL-Leu-OMe.HCl;H-DL-Leu-Ome-HCl;H-D-LEU-OME HCL;methyl 2-amino-4-methylpentanoate;hydrochloride;Methyl DL-leucinate hydrochloride;Methyl L-leucinate HCl;H-DL-Leu-OMe hydrochloride;EINECS 231-375-0;MFCD00066115;dl-leucine methyl ester hydrochloride;H-L-LEU-OME HCL;H-D-Leu-OMe . HCl;H-D-Leu-OMe hydrochloride;SCHEMBL355415;DODCBMODXGJOKD-UHFFFAOYSA-N;NSC32110;MFCD00067541;NSC-32110;NSC522233;NSC522846;AKOS008030231;FD21914;NSC 522233;NSC-522233;NSC-522846;H-DL-Leu-OMe hydrochloride, AldrichCPR;Leucine,methyl ester,hydrochloride(1:1);AS-49240;SY037977;Leucine methyl ester, hydrochloride (1:1);AM20100563;CS-0213107;FT-0625461;FT-0627935;EN300-07724;A838338;methyl 2-azanyl-4-methyl-pentanoate hydrochloride;Z56960272;2-amino-4-methylpentanoic acid methyl ester hydrochloride;Dimethylaminonaphthalene-5-sulfonamidoethyltrimethylammoniumperchlorate

Chemical Property of Methyl 2-amino-4-methylpentanoate hydrochloride

Chemical Property:

• Vapor Pressure: 1.56mmHg at 25°C
• Melting Point: 150 °C
• Refractive Index: -14 ° (C=2, H2O)
• Boiling Point: 169.2 °C at 760 mmHg
• Flash Point: 42.7 °C
• PSA: 52.32000
• Density: 0.955 g/cm³
• LogP: 2.03510
• Storage Temp.: Store at 0-5°C
• Sensitive.: Hygroscopic
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• Water Solubility.: soluble
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 181.0869564
• Heavy Atom Count: 11
• Complexity: 112

Purity/Quality:

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

D-Leucine methyl ester hydrochloride ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(C(=O)OC)N.Cl
• Uses: D-Leucine methyl ester hydrochloride is a protected form of D-Leucine (L330150). D-Leucine is an unnatural isomer of L-Leucine (L330110) that acts as an auto-inhibitor of lactic streptococci in culture. D-Leucine causes analgesia in humans and also exhibits inhibitory activity in bacterial cell cultures.

Technology Process of Methyl 2-amino-4-methylpentanoate hydrochloride

There total 8 articles about Methyl 2-amino-4-methylpentanoate hydrochloride 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%

methanol (67-56-1) + (R)-leucine (328-38-1,21675-61-6,25248-98-0,70-45-1) → (R)-leucine methyl ester hydrochloride (5845-53-4,6322-53-8,7517-19-3)

Guidance literature:

With sulfuryl dichloride; at 0 - 20 ℃; for 16h; Inert atmosphere;

DOI:10.1002/anie.201603288

Reference yield: 96.0%

methanol (67-56-1) + LEUCINE (328-39-2,21675-61-6,25248-98-0,70-45-1) → leucine methyl ester hydrochloride (6322-53-8,5845-53-4,7517-19-3)

Guidance literature:

With chloro-trimethyl-silane; at 20 ℃; for 12h;

DOI:10.3390/molecules13051111

Reference yield: 70.0%

D-leucine methyl ester (23032-21-5) → (R)-leucine methyl ester hydrochloride (5845-53-4,6322-53-8,7517-19-3)

Guidance literature:

With hydrogenchloride; In methanol;

upstream raw materials:

methanol

(R)-leucine

N-Benzyloxy-D-leucin-methylester

methyl (2S)-2-hydroxy-4-methylpentanoate

Downstream raw materials:

3,6-diisobutyl-2,5-piperazinedione

Formyl-phenylalanyl-leucin-methylester

Z-Gly-D-LeuOMe

methyl-(N-Boc-L-phenylalanine)-D-leucinate

Refernces

• 1、 Matam, Sivakumar,Kaliyan, Prabakaran,Selvaraj, Loganathan,Muthu, Seenivasa Perumal,Lohanathan, Bharathi Priya,Viswanadhan, Vijaya Padma,Makala, Himesh,Venkatasubramanian, Ulaganathan. "Convenient method for the synthesis of some novel chiral methyl 2-(2-oxo-2H-benzo[e][1,3]oxazin-3(4H)-yl)propanoate derivatives and biological evaluation of their antioxidant, cytotoxic, and molecular docking properties". supporting information. p. 569 - 579. Retrieved 2020/12/11.
• 2、 -. "N-1 BRANCHED ALKYL SUBSTITUTED IMIDAZO[4,5-C]QUINOLINE COMPOUNDS, COMPOSITIONS, AND METHODS". Page/Page column 65. . Retrieved 2020/12/29.