H-D-His(1-Me)-OH

Base Information

• Chemical Name: H-D-His(1-Me)-OH
• CAS No.: 163750-77-4
• Molecular Formula: C₇H₁₁N₃O₂
• Molecular Weight: 169.183
• Hs Code.: 2933290090
• DSSTox Substance ID: DTXSID30426350
• Mol file: 163750-77-4.mol

Synonyms:163750-77-4;H-D-His(1-Me)-OH;D-Histidine, 1-methyl-;1-Methyl-D-histidine;(2R)-2-amino-3-(1-methylimidazol-4-yl)propanoic acid;(R)-2-Amino-3-(1-methyl-1H-imidazol-4-yl)propanoic acid;(2R)-2-azaniumyl-3-(1-methylimidazol-4-yl)propanoate;(2R)-2-amino-3-(1-methyl-1H-imidazol-4-yl)propanoic acid;N-Imidazole-1-methyl-D-histidine;Nt-Methyl-D-histidine;D-Histidine,1-methyl-;H-D-His(Ntau-Me)-OH;H-D-His(?-Me)-OH;SCHEMBL163222;DTXSID30426350;MFCD00237840;AKOS006271647;CS-0447760;EN300-1266228

Chemical Property of H-D-His(1-Me)-OH

Chemical Property:

• PSA: 81.14000
• LogP: 0.07480
• Storage Temp.: Store at RT.
• XLogP3: -3.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 169.085126602
• Heavy Atom Count: 12
• Complexity: 174

Purity/Quality:

99% ^*data from raw suppliers

H-D-His(1-Me)-OH ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=C(N=C1)CC(C(=O)O)N
• Isomeric SMILES: CN1C=C(N=C1)C[C@H](C(=O)O)N

Technology Process of H-D-His(1-Me)-OH

There total 16 articles about H-D-His(1-Me)-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: 99.0%

(S)-7-(methoxycarbonyl)-2-methyl-5-oxo-5,6,7,8-tetrahydroimidazo[1,5-c] pyrimidin-2-ium iodide (69618-95-7) → His(1-CH3) (332-80-9,163750-77-4)

Guidance literature:

With hydrogenchloride; Heating;

DOI:10.1016/0040-4020(96)00187-1

Reference yield: 71.0%

Nα-Trityl-Nτ-methyl-L-histidin (118891-68-2) → His(1-CH3) (332-80-9,163750-77-4)

Guidance literature:

With acetic acid; In water; ethyl acetate; for 1h; Heating;

Reference yield:

→ 1-methylhistidine (332-80-9,13146-98-0,28095-60-5,163750-77-4)

Guidance literature:

upstream raw materials:

L-histidine

methyl iodide

(S)-2-Amino-3-{5-[5-((S)-2-amino-2-carboxy-ethyl)-3-methyl-3H-imidazol-4-yldisulfanyl]-1-methyl-1H-imidazol-4-yl}-propionic acid

N^α-Trityl-N^τ-methyl-L-histidin

Downstream raw materials:

(S)-methyl 2-amino-3-(1-methyl-1H-imidazol-4-yl)propanoate

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