ethyl N-(1H-pyrrole-2-carbothioyl)carbamate

Base Information

• Chemical Name: ethyl N-(1H-pyrrole-2-carbothioyl)carbamate
• CAS No.: 37488-43-0
• Molecular Formula: C₈H₁₀N₂O₂S
• Molecular Weight: 198.246
• NSC Number: 247000
• DSSTox Substance ID: DTXSID90353375
• ChEMBL ID: CHEMBL1577380
• Mol file: 37488-43-0.mol

Synonyms:37488-43-0;ethyl N-(1H-pyrrole-2-carbothioyl)carbamate;ethyl 1H-pyrrol-2-ylcarbothioylcarbamate;Ethyl 1H-pyrrole-2-carbonothioylcarbamate;NSC247000;Maybridge4_002728;MLS000702391;CHEMBL1577380;DTXSID90353375;HMS1528L22;HMS2604A20;NSC 247000;NSC-247000;IDI1_032606;N-ethoxycarbonylpyrrole-2-thiocarboxamide;SMR000226376;Ethyl (1H-pyrrole-2-carbothioyl)carbamate;AG-777/36177051

Chemical Property of ethyl N-(1H-pyrrole-2-carbothioyl)carbamate

Chemical Property:

• Refractive Index: 1.606
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.3g/cm³
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 198.04629874
• Heavy Atom Count: 13
• Complexity: 208

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)NC(=S)C1=CC=CN1

Technology Process of ethyl N-(1H-pyrrole-2-carbothioyl)carbamate

There total 1 articles about ethyl N-(1H-pyrrole-2-carbothioyl)carbamate 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-ethoxycarbonylpyrrole-2-thiocarboxamide (37488-43-0)

Guidance literature:

Pyrrol, entspr. Isothiocyanat;

DOI:10.1021/jo00944a012

Reference yield: 93.0%

tris(triphenylphosphine)ruthenium(II) chloride (15529-49-4,41756-81-4) + N-ethoxycarbonylpyrrole-2-thiocarboxamide (37488-43-0) → dichloro(triphenylphosphine)(N-carboethoxy-2-pyrrolecarbothioamide)2 ruthenium(II)} (126826-89-9,76683-43-7)

Guidance literature:

In dichloromethane; a soln. of CH2Cl2 containing RuCl2(PPh3)3 and the ligand was refluxed under dry N2 for 3 h; evapn. (vac.), dissolving in minimum CH2Cl2 followed by addn. of petroleum ether with stirring, standing for 1-2 h, centrifugation, washing several times with petroleum ether and drying in vac.; elem. anal.;

Reference yield: 60.0%

bis(triphenylphosphine)iron(II) chloride (19543-98-7) + N-ethoxycarbonylpyrrole-2-thiocarboxamide (37488-43-0) → dichloro(N-ethoxycarbonylpyrrole-2-thiocarboxamide)bis(triphenylphosphine)iron(II) (122382-02-9)

Guidance literature:

In benzene; Fe-compd. was dissolved in benzene by warming , addn. of a benzene soln. of ligand ETH, refluxing for 2 h, concentrating of the resulting soln. to half of its volume, addition of petroleum ether yields precipitate; centrifuging of the complexe, washing with petroleum ether (40 - 60°C and 60-80°C), drying in vacuo;

Downstream raw materials:

2-(1H-pyrrol-2-yl)benzo[d]thiazole

dichloro(N-ethoxycarbonylpyrrole-2-thiocarboxamide)bis(triphenylphosphine)iron(II)

dichloro(triphenylphosphine)(N-carboethoxy-2-pyrrolecarbothioamide)2 ruthenium(II)}