n-Methyl-d-valine

Base Information

• Chemical Name: n-Methyl-d-valine
• CAS No.: 88930-14-7
• Molecular Formula: C6H13NO2
• Molecular Weight: 131.175
• Hs Code.: 2922499990
• UNII: 1XK24U48VP
• Wikidata: Q27463584
• Mol file: 88930-14-7.mol

Synonyms:n-methyl-d-valine;88930-14-7;D-Valine, N-methyl-;d-n-methylvaline;(R)-3-Methyl-2-(methylamino)butanoic acid;(2R)-3-methyl-2-(methylamino)butanoic acid;1XK24U48VP;(2~{R})-3-methyl-2-(methylamino)butanoic acid;UNII-1XK24U48VP;SCHEMBL161931;AMY22718;HY-20561A;AM82395;MS-22776;(R)-3-Methyl-2-(methylamino)butanoicacid;CS-0010220;E80857;A850898;Q27463584

Chemical Property of n-Methyl-d-valine

Chemical Property:

• Vapor Pressure: 0.0935mmHg at 25°C
• Refractive Index: 1.442
• Boiling Point: 206.9 °C at 760 mmHg
• PKA: 2.38±0.13(Predicted)
• Flash Point: 78.9 °C
• PSA: 49.33000
• Density: 0.995 g/cm³
• LogP: 0.70590
• XLogP3: -1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 131.094628657
• Heavy Atom Count: 9
• Complexity: 101

Purity/Quality:

99% ^*data from raw suppliers

N-METHYL-D-VALINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C(=O)O)NC
• Isomeric SMILES: CC(C)[C@H](C(=O)O)NC

Technology Process of n-Methyl-d-valine

There total 5 articles about n-Methyl-d-valine 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:

amantamide → L-valine (72-18-4,25609-85-2,7004-03-7,921-10-8) + L-leucine (61-90-5,21675-61-6,25248-98-0,70-45-1) + L-isoleucine (73-32-5,959215-79-3,18875-42-8) + N-methyl-L-leucine (3060-46-6) + N-methyl-D-phenylalanine (56564-52-4) + glycine (56-40-6,18875-39-3,25718-94-9) + (-)-α-methylamino-β-methylbutyric acid (88930-14-7) + L-proline (147-85-3,25191-13-3,37159-97-0,4305-67-3,4607-28-7)

Guidance literature:

With hydrogenchloride; In water; at 110 ℃; for 24h;

DOI:10.1021/acs.orglett.9b00163

Reference yield:

mabuniamide → N-methylalanine (3913-67-5) + L-valine (72-18-4,25609-85-2,7004-03-7,921-10-8) + L-leucine (61-90-5,21675-61-6,25248-98-0,70-45-1) + N-Methyl-L-phenylalanine (2566-30-5) + N-methyl-D-phenylalanine (56564-52-4) + (-)-α-methylamino-β-methylbutyric acid (88930-14-7) + L-proline (147-85-3,25191-13-3,37159-97-0,4305-67-3,4607-28-7)

Guidance literature:

With hydrogenchloride; In water; at 110 ℃; for 18h;

DOI:10.1021/acs.jnatprod.9b00749

Reference yield:

ohmyungsamycin A (1494680-68-0) → DL-threonine (72-19-5,80-68-2,144-98-9,632-20-2,2676-21-3,7004-04-8,24830-94-2,28954-12-3,36676-50-3,134357-96-3,7013-32-3,82822-12-6) + N-methylvaline (2480-23-1,88930-14-7,2566-32-7) + N-methylleucine (3060-46-6,31321-74-1,2566-33-8) + N-methyl-threonine (855223-97-1) + β-hydroxyphenylalanine + N-methyl-4-methoxytryptophan + D,L-valine (516-06-3,25609-85-2,7004-03-7,921-10-8)

Guidance literature:

With hydrogenchloride; In water; at 115 ℃; for 1.05h; Cooling with ice;

DOI:10.1021/jo401974g

upstream raw materials:

ohmyungsamycin A

Downstream raw materials:

(3R,6S)-3,6-diisopropyl-4-methyl-2,5-morpholinedione

N-methyl-N-chloroacetyl-DL-valine

Boc-(D,L)-N(Me)-Val-OH

5-isopropyl-1-methyl-3-phenyl-2-thiohydantoin

Refernces

• 1、 Ozaki, Kaori,Iwasaki, Arihiro,Sezawa, Dai,Fujimura, Haruka,Nozaki, Tomoyoshi,Saito-Nakano, Yumiko,Suenaga, Kiyotake,Teruya, Toshiaki. "Isolation and Total Synthesis of Mabuniamide, a Lipopeptide from an Okeania sp. Marine Cyanobacterium". . p. 2907 - 2915. Retrieved 2019/10/16.
• 2、 Um, Soohyun,Choi, Tae Joon,Kim, Heegyu,Kim, Byung Yong,Kim, Seong-Hwan,Lee, Sang Kook,Oh, Ki-Bong,Shin, Jongheon,Oh, Dong-Chan. "Ohmyungsamycins A and B: Cytotoxic and antimicrobial cyclic peptides produced by Streptomyces sp. from a volcanic island". . p. 12321 - 12329. Retrieved 2014/01/17.