Cas no 1087-09-8 (1,4-Diphenyl-2-butyne-1,4-dione)
1,4-Diphenyl-2-butyne-1,4-dione is a conjugated diketone featuring a central butyne backbone flanked by phenyl groups at the 1,4-positions. This compound is notable for its rigid, linear structure and electron-deficient alkynyl-dione moiety, making it a valuable intermediate in organic synthesis. Its extended π-conjugation system enhances reactivity in cycloaddition and cross-coupling reactions, facilitating the construction of complex polycyclic frameworks. The symmetrical phenyl substitution improves stability while retaining solubility in common organic solvents. Applications include use as a precursor for heterocyclic compounds, ligands, and functional materials. Its well-defined structure also makes it suitable for mechanistic studies in photochemistry and catalysis.
1087-09-8 structure
Product Name:1,4-Diphenyl-2-butyne-1,4-dione
CAS No:1087-09-8
MF:C16H10O2
MW:234.249404430389
MDL:MFCD00033371
CID:141489
PubChem ID:253662103
Update Time:2025-05-27
1,4-Diphenyl-2-butyne-1,4-dione Chemical and Physical Properties
Names and Identifiers
-
- 2-Butyne-1,4-dione,1,4-diphenyl-
- 1,4-DIPHENYL-2-BUTYNE-1,4-DIONE
- 1,4-diphenylbut-2-yne-1,4-dione
- 1,2-Dibenzoylacetylene
- 1,4-diphenyl-but-2-yne-1,4-dione
- dibenzoylacetylene
- Dibenzoylethyne
- Ethyne,dibenzoyl
- NSC 20233
- Ethyne, dibenzoyl-
- 2-Butyne-1,4-dione, 1,4-diphenyl-
- BLCJVQFFSUNDMV-UHFFFAOYSA-N
- NSC20233
- 1,2-bis(benzoyl)acetylene
- 2-Butyne-1, 1,4-diphenyl-
- 1,4-Diphenyl-2-b
- 1,4-Diphenyl-2-butyne-1,4-dione #
- ST45025196
- D4699
- 1,4-Dipheny
- MFCD00033371
- NSC-20233
- AKOS003245330
- CS-0321367
- DTXSID00281135
- 1,4-Diphenyl-2-butyne-1,4-dione, >=95.0% (HPLC)
- AS-76441
- SCHEMBL5143659
- 1087-09-8
- InChI=1/C16H10O2/c17-15(13-7-3-1-4-8-13)11-12-16(18)14-9-5-2-6-10-14/h1-10
- T70069
- DIPHENYLBUT-2-YNE-1,4-DIONE
- DS-003978
- 1,4-Diphenyl-2-butyne-1,4-dione
-
- MDL： MFCD00033371
- Inchi： 1S/C16H10O2/c17-15(13-7-3-1-4-8-13)11-12-16(18)14-9-5-2-6-10-14/h1-10H
- InChI Key： BLCJVQFFSUNDMV-UHFFFAOYSA-N
- SMILES： O=C(C#CC(C1C=CC=CC=1)=O)C1C=CC=CC=1
Computed Properties
- Exact Mass: 234.06800
- Monoisotopic Mass: 234.068
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 336
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 34.1
- XLogP3: 3.8
Experimental Properties
- Density: 1.190±0.06 g/cm3 (20 oC 760 Torr),
- Melting Point: 111.0 to 115.0 deg-C
- Boiling Point: 384.5±25.0 °C at 760 mmHg
- Flash Point: 165.6±18.3 °C
- Refractive Index: 1.613
- Solubility: Almost insoluble (0.011 g/l) (25 o C),
- PSA: 34.14000
- LogP: 2.75560
- Vapor Pressure: 0.0±0.9 mmHg at 25°C
1,4-Diphenyl-2-butyne-1,4-dione Customs Data
- HS CODE：2914399090
- Customs Data：
China Customs Code:
2914399090Overview:
2914399090. Other aromatic ketones without other oxygen-containing groups. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:5.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to, Acetone declared packaging
Summary:
2914399090. other aromatic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%
1,4-Diphenyl-2-butyne-1,4-dione Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | 728195-250MG |
1,4-Diphenyl-2-butyne-1,4-dione |
1087-09-8 | ≥95.0% (HPLC) | 250MG |
￥1803.8 | 2022-02-24 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | D869164-250mg |
1,4-Diphenyl-2-butyne-1,4-dione |
1087-09-8 | 96% | 250mg |
567.90 | 2021-05-17 | |
| TRC | D489483-10mg |
1,4-Diphenyl-2-butyne-1,4-dione |
1087-09-8 | 10mg |
$ 50.00 | 2022-06-05 | ||
| TRC | D489483-50mg |
1,4-Diphenyl-2-butyne-1,4-dione |
1087-09-8 | 50mg |
$ 95.00 | 2022-06-05 | ||
| TRC | D489483-100mg |
1,4-Diphenyl-2-butyne-1,4-dione |
1087-09-8 | 100mg |
$ 160.00 | 2022-06-05 | ||
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | D155766-1G |
1,4-Diphenyl-2-butyne-1,4-dione |
1087-09-8 | 96% | 1g |
￥1999.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | D155766-250MG |
1,4-Diphenyl-2-butyne-1,4-dione |
1087-09-8 | 96% | 250mg |
￥579.90 | 2023-09-03 | |
| TI XI AI ( SHANG HAI ) HUA CHENG GONG YE FA ZHAN Co., Ltd. | D4699-250MG |
1,4-Diphenyl-2-butyne-1,4-dione |
1087-09-8 | >96.0%(GC) | 250mg |
￥490.00 | 2024-04-18 | |
| TI XI AI ( SHANG HAI ) HUA CHENG GONG YE FA ZHAN Co., Ltd. | D4699-1G |
1,4-Diphenyl-2-butyne-1,4-dione |
1087-09-8 | >96.0%(GC) | 1g |
￥1490.00 | 2024-04-18 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | UF295-500mg |
1,4-Diphenyl-2-butyne-1,4-dione |
1087-09-8 | 96.0%(GC) | 500mg |
￥1882.0 | 2022-06-10 |
1,4-Diphenyl-2-butyne-1,4-dione Related Literature
-
Kezi Yao,Arnau Bertran,Jacques Morgan,Samuel M. Hare,Nicholas H. Rees,Alan M. Kenwright,Katharina Edkins,Alice M. Bowen,Nicola J. Farrer Dalton Trans. 2019 48 6416
-
Sai Teja Kolla,Nageswara Rao Rayala,Balasubramanian Sridhar,China Raju Bhimapaka Org. Biomol. Chem. 2022 20 334
-
3. Convenient synthesis of substituted cyclopentenones via [3?+?2] annulation of allylidenetriphenylphosphorane with 1,2-diacylethylenes: application to synthesis of (±)-methyl dehydrojasmonateYuichiro Himeda,Yasuhiro Tanaka,Ikuo Ueda,Minoru Hatanaka J. Chem. Soc. Perkin Trans. 1 1998 1389
-
Ranjana Aggarwal,Mona Hooda,Prince Kumar,Mari Carmen Torralba Org. Biomol. Chem. 2022 20 584
-
Kezi Yao,Arnau Bertran,Alison Howarth,Jose M. Goicoechea,Samuel M. Hare,Nicholas H. Rees,Mohammadali Foroozandeh,Alice M. Bowen,Nicola J. Farrer Chem. Commun. 2019 55 11287
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