L-4-Hydroxyphenyl-2,3,5,6-d4-alanine

Base Information

• Chemical Name: L-4-Hydroxyphenyl-2,3,5,6-d4-alanine
• CAS No.: 62595-14-6
• Molecular Formula: C9H7D4NO3
• Molecular Weight: 185.159
• European Community (EC) Number: 622-697-6
• DSSTox Substance ID: DTXSID70439560
• Nikkaji Number: J1.526.782H
• Wikidata: Q82255539
• Mol file: 62595-14-6.mol

Synonyms:62595-14-6;L-Tyrosine D4;L-4-Hydroxyphenyl-2,3,5,6-d4-alanine;L-Tyrosine-(phenyl-d4);L-Tyrosine-2,3,5,6-D4;(2S)-2-amino-3-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)propanoic acid;L-TYROSINE-RING-D4;HY-N0473S;DTXSID70439560;CHEBI:192085;AKOS015913301;CS-T-62606;L-Tyrosine-(phenyl-d4), 98 atom % D;MS-22997;CS-0182694;D98830;L-Tyrosine-(phenyl-d4), S & P tested, 98 atom % D;(2S)-2-amino-3-[4-hydroxy(2,3,5,6-?H?)phenyl]propanoic acid

Chemical Property of L-4-Hydroxyphenyl-2,3,5,6-d4-alanine

Chemical Property:

• Melting Point: >300 °C (dec.)(lit.)
• PSA: 83.55000
• LogP: 1.04690
• Storage Temp.: Refrigerator
• Solubility.: Aqueous Acid (Slightly, Sonicated), Aqueous Base (Slightly)
• XLogP3: -2.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 185.099000197
• Heavy Atom Count: 13
• Complexity: 176

Purity/Quality:

98%min ^*data from raw suppliers

L-Tyrosine-d4 ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1CC(C(=O)O)N)O
• Isomeric SMILES: [2H]C1=C(C(=C(C(=C1C[C@@H](C(=O)O)N)[2H])[2H])O)[2H]
• Uses: L-TYROSINE-2,3,5,6-D4 is one of the 22 proteinogenic amino acids that are used by cells to synthesize proteins. L-TYROSINE-2,3,5,6-D4 is biologically converted from L-phenylalanine and is in turn is converted to L-DOPA and further converted into the neurotransmitters: dopamine, norepinephrine, and epinephrine. This is the labeled analog. L-Tyrosine is one of the 22 proteinogenic amino acids that are used by cells to synthesize proteins. L-Tyrosine is biologically converted from L-phenylalanine and is in turn is converted to L-DOPA and further converted into the neurotransmitters: dopamine, norepinephrine, and epinephrine. This is the labeled analog.

Technology Process of L-4-Hydroxyphenyl-2,3,5,6-d4-alanine

There total 2 articles about L-4-Hydroxyphenyl-2,3,5,6-d4-alanine 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: 86.0%

phenol-d6 (13127-88-3,80441-87-8) + sodium pyruvate (113-24-6) → <2',3',5',6'-2H4>-L-tyrosine (62595-14-6)

Guidance literature:

With ammonium acetate; sodium hydroxide; ethylenediaminetetraacetic acid; pyridoxal 5'-phosphate; sodium sulfite; at 37 ℃; for 20h; cells of Erwinia herbicola;

DOI:10.1002/jlcr.2580340905

Reference yield:

L-serin (56-45-1,83245-15-2) + phenol-d6 (13127-88-3,80441-87-8) → <2',3',5',6'-2H4>-L-tyrosine (62595-14-6)

Guidance literature:

With ammonium acetate; In water; at 37 ℃; for 24h; bacterial cells Erwinia herbicola, pH 8.5;

DOI:10.1021/jo00358a004

Reference yield: 100.0%

<2',3',5',6'-2H4>-L-tyrosine (62595-14-6) → <2',6'-2H2>-L-tyrosine (57746-15-3)

Guidance literature:

With diclazuril; water-d2; for 6h; Heating;

DOI:10.1002/jlcr.2580340905

upstream raw materials:

L-serin

phenol-d6

sodium pyruvate

Downstream raw materials:

<2',6'-2H2>-L-tyrosine

C₁₆H₁₃⁽²⁾H₄NO₃

C₉H₉⁽²⁾H₂NO₂

C₉H₈⁽²⁾H₃NO₂