L-4-Hydroxyphenyl-3,5-d2-alanine

Base Information

• Chemical Name: L-4-Hydroxyphenyl-3,5-d2-alanine
• CAS No.: 30811-19-9
• Molecular Formula: C9H9D2NO3
• Molecular Weight: 183.175
• European Community (EC) Number: 803-647-4
• DSSTox Substance ID: DTXSID10473726
• Nikkaji Number: J1.526.792E
• Wikidata: Q82303323
• Mol file: 30811-19-9.mol

Synonyms:30811-19-9;L-Tyrosine-d2-1;L-4-Hydroxyphenyl-3,5-d2-alanine;(2S)-2-amino-3-(3,5-dideuterio-4-hydroxyphenyl)propanoic acid;L-Tyrosine-(phenyl-3,5-d2);DTXSID10473726;HY-N0473S10;AKOS015913356;MS-22978;CS-0376524;L-Tyrosine-(phenyl-3,5-d2), 98 atom % D, 99% (CP);(2S)-2-amino-3-[4-hydroxy(3,5-?H?)phenyl]propanoic acid;L-Tyrosine-(phenyl-3,5-d2), 98 atom % D, 99% (CP), S & P tested

Chemical Property of L-4-Hydroxyphenyl-3,5-d2-alanine

Chemical Property:

• Melting Point: >300 °C (dec.)(lit.)
• PSA: 83.55000
• LogP: 1.04690
• XLogP3: -2.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 183.086446705
• Heavy Atom Count: 13
• Complexity: 176

Purity/Quality:

98%min ^*data from raw suppliers

L-Tyrosine-(phenyl-3,5-d2) 98 atom % D, 99% (CP) ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CC(C(=O)O)N)O
• Isomeric SMILES: [2H]C1=CC(=CC(=C1O)[2H])C[C@@H](C(=O)O)N
• Uses: L-4-Hydroxyphenyl-3,5-d2-alanine (CAS# 30811-19-9) is a useful isotopically labeled research compound.

Technology Process of L-4-Hydroxyphenyl-3,5-d2-alanine

There total 3 articles about L-4-Hydroxyphenyl-3,5-d2-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:

L-tyrosine (60-18-4,18875-48-4,25619-78-7,30704-25-7) → L-3,5-2H2-tyrosine (30811-19-9)

Guidance literature:

With diclazuril; sulfuric acid-d2; Yield given. Multistep reaction; 1) D₂O, 2) 110 deg C, 20 h; the deuteration was repeated;

DOI:10.1016/0022-2860(91)87146-9

Reference yield:

L-tyrosine hydrochloride (16870-43-2,282733-43-1) → L-3,5-2H2-tyrosine (30811-19-9) + <3,5-(3)H2>-L-tyrosine (7234-03-9)

Guidance literature:

With hydrogen chloride; at 130 ℃; for 24h; Title compound not separated from byproducts.;

Reference yield:

→ 3,5-dideuterio-tyrosine (30811-19-9)

Guidance literature:

2-H-Verb., DCl;

upstream raw materials:

L-tyrosine

L-tyrosine hydrochloride

Downstream raw materials:

<3',5'-2H2>-L-tyrosine benzyl ester

C₂₃H₁₉⁽²⁾H₂N₅O₃

C₃₃H₅₂⁽²⁾H₂N₂O₆Si₂

C₃₃H₅₂⁽²⁾H₂N₂O₆Si₂