Willardiine

Base Information

• Chemical Name: Willardiine
• CAS No.: 21416-43-3
• Molecular Formula: C₇H₉N₃O₄
• Molecular Weight: 199.166
• Hs Code.: 2933599090
• UNII: X2R4I0X4W9
• DSSTox Substance ID: DTXSID201017167
• Nikkaji Number: J15.977H
• Wikipedia: Willardiine
• Wikidata: Q12093199
• Pharos Ligand ID: JC3682LADUGC
• Metabolomics Workbench ID: 50282
• ChEMBL ID: CHEMBL122005
• Mol file: 21416-43-3.mol

Synonyms:3-(Uracil-1-yl)-L-alanine;beta-(2,4-dihydroxypyrimidin-1-yl)alanine;willardiine

Chemical Property of Willardiine

Chemical Property:

• Appearance/Colour: White Solid
• Boiling Point: °Cat760mmHg
• PKA: 2.12±0.10(Predicted)
• Flash Point: °C
• PSA: 118.18000
• Density: 1.501 g/cm³
• LogP: -1.35120
• Storage Temp.: 2-8°C(protect from light)
• Solubility.: 0.1 M NaOH: 7.2 mg/mL
• XLogP3: -4.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 199.05930578
• Heavy Atom Count: 14
• Complexity: 312

Purity/Quality:

97% ^*data from raw suppliers

(S)-Willardiine >98% ^*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

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CN(C(=O)NC1=O)CC(C(=O)O)N
• Isomeric SMILES: C1=CN(C(=O)NC1=O)C[C@@H](C(=O)O)N
• Description: This simple base occurs in germinatine pea seeds or seedlings. The structure given above has been determined from chemical and s'pectroscopic analysis.

Technology Process of Willardiine

There total 4 articles about Willardiine 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: 98.0%

(S)-benzyl 2-(((benzyloxy)carbonyl)amino)-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate → L-willardiine (21416-43-3,38062-08-7)

Guidance literature:

With methanol; palladium 10% on activated carbon; hydrogen; at 20 ℃; for 4h;

DOI:10.1016/j.bioorg.2020.103864

Reference yield: 0.1%

O-acetyl-L-serine (5147-00-2,25248-96-8,44901-25-9) + uracil (66-22-8,144104-68-7,18324-22-6,27072-01-1,2920-92-5,51953-19-6) → L-willardiine (21416-43-3,38062-08-7)

Guidance literature:

cysteine synthases from Pisum sativum;

DOI:10.1016/0031-9422(90)85176-G

Reference yield:

2-tert-butoxycarbonylamino-3-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-propionic acid (62475-74-5) → L-willardiine (21416-43-3,38062-08-7)

Guidance literature:

With trifluoroacetic acid; Yield given; Ambient temperature;

DOI:10.1021/jm9702387

upstream raw materials:

O-acetyl-L-serine

uracil

2-tert-butoxycarbonylamino-3-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-propionic acid

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 21416-43-3 S(-)-ALPHA-AMINO-3,4-DIHYDRO-2,4-DIOXO-1(2H)-PYRIMIDINEPROPANOIC ACID

Send

Send

Metric Ton KG G Pound L ML

Send

Send