4-Chloro-6-ethylthieno[2,3-d]pyrimidine

Base Information

• Chemical Name: 4-Chloro-6-ethylthieno[2,3-d]pyrimidine
• CAS No.: 81136-42-7
• Molecular Formula: C8H7 Cl N2 S
• Molecular Weight: 198.676
• Hs Code.: 29335990
• European Community (EC) Number: 830-019-7
• DSSTox Substance ID: DTXSID00358795
• Nikkaji Number: J2.558.485F
• Wikidata: Q72450337
• ChEMBL ID: CHEMBL269056
• Mol file: 81136-42-7.mol

Synonyms:4-chloro-6-ethylthieno[2,3-d]pyrimidine;81136-42-7;4-Chloro-6-ethyl-thieno[2,3-d]pyrimidine;CHEMBL269056;Enamine_005558;SCHEMBL3799246;DTXSID00358795;IYTRSBKGPIDYHI-UHFFFAOYSA-N;HMS1409M14;AMY23526;BDBM50098495;MFCD01950152;STK744870;AKOS000122829;BS-13597;4-chloro-6-ethylthiopheno[2,3-d]pyrimidine;A9978;FT-0646575;EN300-13897;J-515092;Z56917056;F3027-0208

Chemical Property of 4-Chloro-6-ethylthieno[2,3-d]pyrimidine

Chemical Property:

• Vapor Pressure: 0.00106mmHg at 25°C
• Melting Point: 56-57°C
• Boiling Point: 311.1°Cat760mmHg
• Flash Point: 141.9°C
• PSA: 54.02000
• Density: 1.377g/cm³
• LogP: 2.90710
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 198.0018471
• Heavy Atom Count: 12
• Complexity: 167

Purity/Quality:

98%min ^*data from raw suppliers

4-Chloro-6-ethylthieno[2,3-d]pyrimidine ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC2=C(S1)N=CN=C2Cl
• Uses: 4-Chloro-6-ethylthieno[2,3-d]pyrimidine is a useful intermediate for organic synthesis.

Technology Process of 4-Chloro-6-ethylthieno[2,3-d]pyrimidine

There total 5 articles about 4-Chloro-6-ethylthieno[2,3-d]pyrimidine 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%

4-oxo-(3H)-6-ethylthieno<2,3-d>pyrimidine (18593-51-6) → 4-chloro-6-ethylthieno<2,3-d>pyrimidine (81136-42-7)

Guidance literature:

With phosphorus pentachloride; In trichlorophosphate; at 130 ℃; for 1h;

Reference yield: 64.0%

6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one (18593-51-6) → 4-chloro-6-ethylthieno<2,3-d>pyrimidine (81136-42-7)

Guidance literature:

With trichlorophosphate; In 1,4-dioxane; for 4h; Product distribution / selectivity; Reflux;

Reference yield:

C9H10N2S → 4-chloro-6-ethylthieno<2,3-d>pyrimidine (81136-42-7)

Guidance literature:

With trichlorophosphate; for 6h; Reflux;

upstream raw materials:

4-oxo-(3H)-6-ethylthieno<2,3-d>pyrimidine

ethyl 2-amino-5-ethylthiophene-3-carboxylate

6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one

Downstream raw materials:

C₁₄H₁₁ClFN₃S

C₁₅H₁₅N₃S

C₁₄H₁₂ClN₃S

C₁₅H₁₅N₃OS

Refernces

• 1、 -. "IRAK INHIBITORS AND USES THEREOF". . . Retrieved 2012/07/28.
• 2、 Kortum, Steven W.,Lachance, Rhonda M.,Schweitzer, Barbara A.,Yalamanchili, Gopichand,Rahman, Hayat,Ennis, Michael D.,Huff, Rita M.,TenBrink, Ruth E.. "Thienopyrimidine-based P2Y12 platelet aggregation inhibitors". scheme or table. p. 5919 - 5923. Retrieved 2010/04/30.