(2,4-Difluorophenyl)thiourea

Base Information

• Chemical Name: (2,4-Difluorophenyl)thiourea
• CAS No.: 175277-76-6
• Molecular Formula: C₇H₆F₂N₂S
• Molecular Weight: 188.201
• Hs Code.: 29309090
• European Community (EC) Number: 626-355-7
• NSC Number: 370368
• DSSTox Substance ID: DTXSID30370162
• Nikkaji Number: J3.416.438J
• ChEMBL ID: CHEMBL1333654
• Mol file: 175277-76-6.mol

Synonyms:175277-76-6;(2,4-Difluorophenyl)thiourea;1-(2,4-Difluorophenyl)-2-thiourea;1-(2,4-difluorophenyl)thiourea;2,4-difluorophenylthiourea;N-(2,4-difluorophenyl)thiourea;NSC370368;MLS000835023;SCHEMBL140667;CHEMBL1333654;DTXSID30370162;HMS2794P17;MFCD00041150;Thiourea, N-(2,4-difluorophenyl)-;(2,4-Difluorophenyl)thiourea, 97%;AKOS009140777;NSC-370368;PS-8440;SMR000461639;CS-0211861;D4861;FT-0610110;EN300-28849;D90341;A812023;J-011095;Z271134310

Chemical Property of (2,4-Difluorophenyl)thiourea

Chemical Property:

• Appearance/Colour: cream crystals
• Melting Point: 168-172 °C(lit.)
• Boiling Point: 247.1 °C at 760 mmHg
• Flash Point: 103.3 °C
• PSA: 70.14000
• Density: 1.493 g/cm³
• LogP: 2.39360
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: soluble in Methanol
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 188.02197570
• Heavy Atom Count: 12
• Complexity: 177

Purity/Quality:

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

1-(2,4-Difluorophenyl)-2-thiourea ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn;Xi
• Hazard Codes: Xn,Xi
• Statements: 22-36/37/38
• Safety Statements: 26-36-22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)F)NC(=S)N

Technology Process of (2,4-Difluorophenyl)thiourea

There total 5 articles about (2,4-Difluorophenyl)thiourea 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:

N-[(2,4-difluorophenyl)carbamothioyl]benzamide (887266-92-4) → 1-(2,4-difluorophenyl)thiourea (175277-76-6)

Guidance literature:

With water; sodium hydroxide; In methanol; at 80 ℃;

DOI:10.1074/jbc.RA117.001575

Reference yield:

2,4-difluorophenylamine (367-25-9,76563-56-9) + ammonium thiocyanate (1147550-11-5) → 1-(2,4-difluorophenyl)thiourea (175277-76-6)

Guidance literature:

With hydrogenchloride; In water; at 90 ℃; for 2h;

DOI:10.1016/j.bmcl.2019.01.010

Reference yield:

2,4-difluorophenyl isothiocyanate (141106-52-7) → 1-(2,4-difluorophenyl)thiourea (175277-76-6)

Guidance literature:

With ammonia; water; In ethyl acetate; at 20 ℃;

DOI:10.1039/b914283p

upstream raw materials:

2,4-difluorophenyl isothiocyanate

N-[(2,4-difluorophenyl)carbamothioyl]benzamide

2,4-difluorophenylamine

ammonium thiocyanate

Downstream raw materials:

N-(2,4-difluorophenyl)thiazol-2-amine

Refernces

• 1、 Yasui, Rei,Seto, Yoshiya,Ito, Shinsaku,Kawada, Kojiro,Itto-Nakama, Kaori,Mashiguchi, Kiyoshi,Yamaguchi, Shinjiro. "Chemical screening of novel strigolactone agonists that specifically interact with DWARF14 protein". supporting information. p. 938 - 942. Retrieved 2019/02/09.
• 2、 Jamir, Latonglila,Sinha, Upasana Bora,Nath, Jayashree,Patel, Bhisma K.. "Environmentally benign one-pot synthesis of cyanamides from dithiocarbamates using I2 and H2O2". experimental part. p. 951 - 958. Retrieved 2012/02/01.