Warfarin

Base Information

• Chemical Name: Warfarin
• CAS No.: 81-81-2
• Molecular Formula: C19H16O4
• Molecular Weight: 308.334

Synonyms:Coumarin,3-(a-acetonylbenzyl)-4-hydroxy- (7CI,8CI);(RS)-Warfarin;1-(4'-Hydroxy-3'-coumarinyl)-1-phenyl-3-butanone;3-(1'-Phenyl-2'-acetylethyl)-4-hydroxycoumarin;3-(a-Acetonylbenzyl)-4-hydroxycoumarin;3-(a-Phenyl-b-acetylethyl)-4-hydroxycoumarin;4-Hydroxy-3-(3-oxo-1-phenylbutyl)-2H-chromen-2-one;Athrombine-K;Brumolin;Co-Rax;Compound 42;Coumafen;Coumaphen;Coumefene;DL-3-(a-Acetonylbenzyl)-4-hydroxycoumarin;Kumader;Kumadu;Ratron;Rodafarin;Rodafarin C;Rodex;Vampirinip II;Vampirinip III;W.A.R.F. 42;WARF compound 42;Warfarin;Zoocoumarin;rac-Warfarin;

Chemical Property of Warfarin

Chemical Property:

• Appearance/Colour: crystalline solid
• Melting Point: 162-164 °C(lit.)
• Boiling Point: 515.155 °C at 760 mmHg
• PKA: 4.50±1.00(Predicted)
• Flash Point: 188.828 °C
• PSA: 67.51000
• Density: 1.308 g/cm³
• LogP: 3.60960
• Storage Temp.: 2-8°C
• Water Solubility.: Practically insoluble

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T,T+,Xn,F
• Statements: 61-48/25-52/53-28-21-36-20/21/22-11
• Safety Statements: 53-45-61-52-36/37-28-26-16

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Technology Process of Warfarin

There total 61 articles about Warfarin 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: 100.0%

(S)-4-Methoxywarfarin (60431-20-1) → S-(-)-warfarin (81-81-2,5543-56-6,5543-57-7,5543-58-8)

Guidance literature:

With boron tribromide; In dichloromethane; at 0 - 25 ℃; for 6h;

DOI:10.1021/ol0619157

Reference yield: 94.0%

4-hydroxy[1]benzopyran-2-one (1076-38-6,92395-12-5) + 1-Phenylbut-1-en-3-one (122-57-6) → R-warfarin (81-81-2,5543-56-6,5543-57-7,5543-58-8) + S-(-)-warfarin (81-81-2,5543-56-6,5543-57-7,5543-58-8)

Guidance literature:

With (1R,2R)-1,2-cyclohexanediamine-MIL-4; In tetrahydrofuran; at 10 ℃; for 96h; Solvent; Reagent/catalyst; enantioselective reaction;

DOI:10.1002/adsc.201300554

Reference yield: 94.0%

4-hydroxy[1]benzopyran-2-one (1076-38-6,92395-12-5) + 1-Phenylbut-1-en-3-one (122-57-6) → R-warfarin (81-81-2,5543-56-6,5543-57-7,5543-58-8) + S-(-)-warfarin (81-81-2,5543-56-6,5543-57-7,5543-58-8)

Guidance literature:

With (1R,2R)-1,2-cyclohexanediamine-MIL-4; In tetrahydrofuran; at 10 ℃; for 96h; Solvent; Reagent/catalyst; enantioselective reaction;

DOI:10.1002/adsc.201300554

upstream raw materials:

4-hydroxy[1]benzopyran-2-one

1-Phenylbut-1-en-3-one

(+/-)-Warfarin 4-methyl ether

2-methoxywarfarin

Downstream raw materials:

4'-Hydroxywarfarin

R-warfarin

S-(-)-warfarin

3-fluoro-3-(1-phenyl-3-oxobutyl)-2H-benzopyran-2,4-dione

Refernces

Non-covalent thrombin inhibitors featuring P₃-heterocycles with P₁-bicyclic arginine surrogates

10.1016/S0960-894X(02)00585-1

The research aimed to develop novel, potent, and orally bioavailable thrombin inhibitors to address the limitations of existing antithrombotic drugs like heparin and warfarin. Thrombin, a serine protease, plays a central role in blood clotting and is a key target for antithrombotic therapy. The study focused on designing and synthesizing a series of non-covalent inhibitors (NC1–NC44) featuring P1-bicyclic arginine mimics with weakly basic properties (calcd pKa 3.6–8.6) to improve oral bioavailability and pharmacokinetic profiles. These inhibitors incorporated various P4-aromatics and P3-heterocyclic dipeptide surrogates to enhance potency and selectivity. The researchers used a combination of P3-pyridones, pyridazinones, and diverse P1-heteroaromatic arginine surrogates such as indazoles, benzimidazoles, and benzotriazoles. The results showed that several of these inhibitors demonstrated high potency (Ki values ranging from 2.5 to 33 nM) and selectivity against thrombin, with some candidates (NC17–20 and NC24–31) exhibiting excellent pharmacokinetic properties in dogs. The study concluded that the balance between P4-hydrophobe, P3-heterocycle, and P1-arginine mimic is crucial for achieving high potency and efficacy.

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