5-[[(4-Methoxyphenyl)methyl]thio]-3-methyl-L-histidine

Base Information

Chemical Name:5-[[(4-Methoxyphenyl)methyl]thio]-3-methyl-L-histidine
CAS No.:110117-73-2
Molecular Formula:C₁₅H₁₉N₃O₃S
Molecular Weight:321.4
Hs Code.:
DSSTox Substance ID:DTXSID001211523

Synonyms:5-[[(4-Methoxyphenyl)methyl]thio]-3-methyl-L-histidine;DTXSID001211523;110117-73-2

Suppliers and Price of 5-[[(4-Methoxyphenyl)methyl]thio]-3-methyl-L-histidine

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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Total 0 raw suppliers

Chemical Property of 5-[[(4-Methoxyphenyl)methyl]thio]-3-methyl-L-histidine

Chemical Property:

XLogP3:-1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:321.11471265
Heavy Atom Count:22
Complexity:364

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CN1C=NC(=C1CC(C(=O)O)N)SCC2=CC=C(C=C2)OC
Isomeric SMILES:CN1C=NC(=C1C[C@@H](C(=O)O)N)SCC2=CC=C(C=C2)OC

Technology Process of 5-[[(4-Methoxyphenyl)methyl]thio]-3-methyl-L-histidine

There total 9 articles about 5-[[(4-Methoxyphenyl)methyl]thio]-3-methyl-L-histidine 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: 58.0%

: 110117-72-1
(2R,5S)-3,6-Diethoxy-2-isopropyl-5-[5-(4-methoxy-benzylsulfanyl)-3-methyl-3H-imidazol-4-ylmethyl]-2,5-dihydro-pyrazine

: 110117-73-2
(S)-(4-methoxyphenyl)methyl-L-ovothiol A

: 110117-73-2
(R)-2-Amino-3-[5-(4-methoxy-benzylsulfanyl)-3-methyl-3H-imidazol-4-yl]-propionic acid

Guidance literature:: With hydrogenchloride; Heating;
DOI:10.1021/jo00228a060

Reference yield: 58.0%

: 110117-72-1
(2R,5S)-3,6-Diethoxy-2-isopropyl-5-[5-(4-methoxy-benzylsulfanyl)-3-methyl-3H-imidazol-4-ylmethyl]-2,5-dihydro-pyrazine

: 110117-73-2
(S)-(4-methoxyphenyl)methyl-L-ovothiol A

: 110117-73-2
(R)-2-Amino-3-[5-(4-methoxy-benzylsulfanyl)-3-methyl-3H-imidazol-4-yl]-propionic acid

Guidance literature:: With hydrogenchloride; Heating;
DOI:10.1021/jo00228a060

Reference yield:

: 110117-68-5
4-<<(4-methoxyphenyl)methyl>thio>-1-methylimidazole

: 110117-73-2
(S)-(4-methoxyphenyl)methyl-L-ovothiol A

Guidance literature:: Multi-step reaction with 4 steps

1: 76 percent / NaOAc / acetic acid; H₂O / 3.5 h / Heating

2: 93 percent / thionyl chloride / 0.5 h / 25 °C

3: tetrahydrofuran / -78 - 25 °C

4: 58 percent / aq. HCl / Heating

With hydrogenchloride; thionyl chloride; sodium acetate; In tetrahydrofuran; water; acetic acid;
DOI:10.1021/jo00228a060