CID 11041097

Base Information

• Chemical Name: CID 11041097
• CAS No.: 6306-52-1
• Molecular Formula: C6H14ClNO2
• Molecular Weight: 167.636
• Hs Code.: 29224995
• Mol file: 6306-52-1.mol

Synonyms:

Chemical Property of CID 11041097

Chemical Property:

• Appearance/Colour: Crystalline
• Vapor Pressure: 4.8mmHg at 25°C
• Melting Point: 171-173 °C(lit.)
• Refractive Index: 15.5 ° (C=2, H2O)
• Boiling Point: 145.7 °C at 760 mmHg
• Flash Point: 20.7 °C
• PSA: 52.32000
• LogP: 1.64500
• Storage Temp.: Store at RT.
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 167.0713064
• Heavy Atom Count: 10
• Complexity: 101

Purity/Quality:

99% ^*data from raw suppliers

L-Valine methyl ester hydrochloride ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C(=O)OC)[NH3+].[Cl-]
• Isomeric SMILES: CC(C)[C@@H](C(=O)OC)[NH3+].[Cl-]
• Uses: L-Valine Methyl Ester Hydrochloride is used in the synthesis of Valaciclovir (V085000), the L-Valine ester prodrug of Acyclovir (A192400), orally active acyclic nucleoside with inhibitory activity tow ards several herpes viruses. Antiviral. L-Valine Methyl Ester Hydrochloride is used in the synthesis of Valaciclovir (V085000), the L-Valine ester prodrug of Acyclovir (A192400), orally active acyclic nucleoside with inhibitory activity towards several herpes viruses. Antiviral.

Technology Process of CID 11041097

There total 54 articles about CID 11041097 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) + L-valine (72-18-4,25609-85-2,7004-03-7,921-10-8) → L-valine methylester hydrochloride (6306-52-1)

Guidance literature:

With thionyl chloride; at 0 - 20 ℃;

DOI:10.1016/j.tetasy.2011.04.001

Reference yield: 100.0%

methanol (67-56-1) + t-Boc-L-valine (13734-41-3) → L-valine methylester hydrochloride (6306-52-1)

Guidance literature:

With thionyl chloride; at 0 - 20 ℃;

DOI:10.1002/ejoc.201000123

Reference yield: 98.4%

methanol (67-56-1) + D,L-valine (516-06-3,25609-85-2,7004-03-7,921-10-8) → DL-valine methyl ester hydrochloride (5619-05-6,6306-52-1,7146-15-8)

Guidance literature:

With chloro-trimethyl-silane; Heating;

DOI:10.1134/S1070363207040135

upstream raw materials:

methanol

L-valine

Isobutyl iodide

(3S,6R)-3,6-Dihydro-3-isopropyl-2,5-dimethoxy-6-methyl-6-methylpyrazin

Downstream raw materials:

(S)-N-acetylvaline methyl ester

N-benzoyl-L-valine methyl ester

PhCO-Gly-ValOMe

Z-Cys(Bzl)-Leu-OH

Refernces

• 1、 Sarin,Kent,Mitchell,Merrifield. "GENERAL APPROACH TO THE QUANTITATION OF SYNTHETIC EFFICIENCY IN SOLID-PHASE PEPTIDE SYNTHESIS AS A FUNCTION OF CHAIN LENGTH.". . p. 7845 - 7850. Retrieved 1984.
• 2、 Gong, Jun-Fang,Li, Xue-Hong,Song, Mao-Ping. "Microwave-Assisted Ruthenium- and Rhodium-Catalyzed Couplings of α-Amino Acid Ester-Derived Phosphinamides with Alkynes". supporting information. . Retrieved 2021/12/23.
• 3、 Kantharaju, Kamanna,Khatavi, Santosh Y.. "Eco-friendly synthesis of peptides using fmoc-amino acid chlorides as coupling agent under biphasic condition". . p. 699 - 707. Retrieved 2021/08/23.