Di(2-thienyl)acetic acid

Base Information

• Chemical Name: Di(2-thienyl)acetic acid
• CAS No.: 4408-82-6
• Molecular Formula: C10H8O2S2
• Molecular Weight: 224.304
• Hs Code.: 2934999090
• NSC Number: 41633
• UNII: UK75PFG19K
• DSSTox Substance ID: DTXSID60196034
• Nikkaji Number: J54.211C
• Wikidata: Q83069120
• Mol file: 4408-82-6.mol

Synonyms:4408-82-6;Di(2-thienyl)acetic acid;Di-thiophen-2-yl-acetic acid;ACETIC ACID, DI-2-THIENYL-;2,2-dithiophen-2-ylacetic acid;2,2-di(thiophen-2-yl)acetic acid;2-Thiopheneacetic acid, .alpha.-2-thienyl-;2,2-bis(thiophen-2-yl)acetic acid;NSC 41633;BRN 0011342;UK75PFG19K;MFCD01672354;NSC-41633;2-Thiopheneacetic acid, alpha-2-thienyl-;4-19-00-03551 (Beilstein Handbook Reference);Bis(thien-2-yl)acetic acid;2,2-dithien-2-ylacetic acid;NSC41633;dithiophenylacetic acid;dithiophenyl acetic acid;Dithien-2-ylacetic acid;dithiophen-2-ylacetic acid;UNII-UK75PFG19K;SCHEMBL72374;2,2-bis(2-Thienyl)acetic acid;WLN: T5SJ BYVQ- BT5SJ;DTXSID60196034;2,2-di(thiophen-2-yl)aceticacid;HMS1698O12;C10-H8-O2-S2;STK351006;AKOS000302675;di-thiophen-2-yl-acetic acid, AldrichCPR;BB 0260730;CS-0264418;EN300-92753;.ALPHA.-2-THIENYL-2-THIOPHENEACETIC ACID

Chemical Property of Di(2-thienyl)acetic acid

Chemical Property:

• Vapor Pressure: 2.71E-06mmHg at 25°C
• Melting Point: 91-94 °C
• Boiling Point: 375.1°Cat760mmHg
• PKA: 3.69±0.10(Predicted)
• Flash Point: 180.7°C
• PSA: 93.78000
• Density: 1.404g/cm³
• LogP: 3.02610
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 223.99657184
• Heavy Atom Count: 14
• Complexity: 204

Purity/Quality:

98%min ^*data from raw suppliers

Di-thiophen-2-yl-acetic acid 90+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CSC(=C1)C(C2=CC=CS2)C(=O)O

Technology Process of Di(2-thienyl)acetic acid

There total 5 articles about Di(2-thienyl)acetic acid 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: 89.0%

2,2'-dithienylmethane (4341-34-8) + carbon dioxide (124-38-9,18923-20-1) → 2,2-di(thiophen-2-yl)acetic acid (4408-82-6)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; dimethyl sulfoxide; at 0 ℃; for 0.5h;

DOI:10.1016/S0040-4039(00)61474-0

Reference yield:

1,1,1-trichloro-2,2-di-[2]thienyl-ethane (6345-58-0) + diethylene glycol (111-46-6) → 2,2-di(thiophen-2-yl)acetic acid (4408-82-6)

Guidance literature:

With potassium hydroxide; at 134 ℃;

DOI:10.1021/ja01609a046

Reference yield:

2-hydroxy-2,2-di(thiophen-2-yl)acetic acid (4746-63-8) → 2,2-di(thiophen-2-yl)acetic acid (4408-82-6)

Guidance literature:

With hydrogenchloride; acetic acid; tin(ll) chloride;

DOI:10.1021/ja01238a011

upstream raw materials:

1,1,1-trichloro-2,2-di-[2]thienyl-ethane

diethylene glycol

2-hydroxy-2,2-di(thiophen-2-yl)acetic acid

2,2'-dithienylmethane

Downstream raw materials:

tiotropium bromide

Refernces

• 1、 Kawase,Enomoto,Wei,Oda. "Regioselective lithiations of di(2-thienyl)methane: A clean kinetic and thermodynamic control in lithiation". . p. 8143 - 8146. Retrieved 1993.