- Preparation of acylaminoindole compounds as modulators of ATP-binding cassette transporters, United States, , ,
Cas no 95924-34-8 (Methyl 2,2-dimethylbut-3-ynoate)
Methyl 2,2-dimethylbut-3-ynoate is a specialty ester featuring a terminal alkyne functionality and a sterically hindered quaternary carbon center. This compound is primarily utilized in organic synthesis as a versatile building block for constructing complex molecular frameworks. Its highly reactive alkyne group enables efficient participation in click chemistry, cycloadditions, and cross-coupling reactions, while the ester moiety offers further derivatization potential. The geminal dimethyl substitution enhances stability and influences regioselectivity in subsequent transformations. This reagent is particularly valuable in pharmaceutical and agrochemical research for introducing constrained structural motifs. Its balanced reactivity profile makes it suitable for both academic investigations and industrial process development.
95924-34-8 structure
Product Name:Methyl 2,2-dimethylbut-3-ynoate
CAS No:95924-34-8
MF:C7H10O2
MW:126.153102397919
CID:1001845
PubChem ID:15186997
Update Time:2025-05-27
Methyl 2,2-dimethylbut-3-ynoate Chemical and Physical Properties
Names and Identifiers
-
- Methyl 2,2-dimethylbut-3-ynoate
- 2,2-Dimethyl-3-butynoic Acid Methyl Ester
- 1,1-dimethylprop-2-ynyl methyl carbonate
- 2,2-DIMETHYL-1,3-PROPANEDIOL
- 3-Butynoic acid,2,2-dimethyl-,methyl ester
- METHYL 2,2-DIMETHYL-3-BUTYNOATE
- methyl 2,2-dimethyl-but-3-ynoate
- 95924-34-8
- JALDGRUZXZRJGJ-UHFFFAOYSA-N
- SCHEMBL1464716
- AS-44985
- F2147-4037
- SY041176
- 3-Butynoic acid, 2,2-dimethyl-, methyl ester
- EN300-1223399
- MFCD14635870
- CS-0197693
- DTXSID80569827
- AB9700
- DB-127366
- AKOS022183408
- Methyl2,2-dimethylbut-3-ynoate
-
- MDL： MFCD14635870
- Inchi： 1S/C7H10O2/c1-5-7(2,3)6(8)9-4/h1H,2-4H3
- InChI Key： JALDGRUZXZRJGJ-UHFFFAOYSA-N
- SMILES： O=C(C(C)(C)C#C)OC
Computed Properties
- Exact Mass: 126.06800
- Monoisotopic Mass: 126.068079557g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 2
- Complexity: 159
- 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
- XLogP3: 1.3
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.30000
- LogP: 0.81880
Methyl 2,2-dimethylbut-3-ynoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | D468050-250mg |
2,2-Dimethyl-3-butynoic Acid Methyl Ester |
95924-34-8 | 250mg |
$190.00 | 2023-05-18 | ||
| TRC | D468050-1 g |
2,2-Dimethyl-3-butynoic Acid Methyl Ester |
95924-34-8 | 1g |
$ 580.00 | 2022-01-09 | ||
| TRC | D468050-2.5 g |
2,2-Dimethyl-3-butynoic Acid Methyl Ester |
95924-34-8 | 2.5 g |
$ 1230.00 | 2022-01-09 | ||
| TRC | D468050-1g |
2,2-Dimethyl-3-butynoic Acid Methyl Ester |
95924-34-8 | 1g |
$ 580.00 | 2022-06-05 | ||
| TRC | D468050-2.5g |
2,2-Dimethyl-3-butynoic Acid Methyl Ester |
95924-34-8 | 2.5g |
$1487.00 | 2023-05-18 | ||
| Apollo Scientific | OR72176-100mg |
Methyl 2,2-dimethylbut-3-ynoate |
95924-34-8 | 100mg |
￡180.00 | 2025-02-20 | ||
| Apollo Scientific | OR72176-1g |
Methyl 2,2-dimethylbut-3-ynoate |
95924-34-8 | 1g |
￡872.00 | 2025-02-20 | ||
| Apollo Scientific | OR72176-250mg |
Methyl 2,2-dimethylbut-3-ynoate |
95924-34-8 | 250mg |
￡350.00 | 2025-02-20 | ||
| Apollo Scientific | OR72176-5g |
Methyl 2,2-dimethylbut-3-ynoate |
95924-34-8 | 5g |
￡3251.00 | 2025-02-20 | ||
| eNovation Chemicals LLC | Y1258606-100mg |
METHYL 2,2-DIMETHYL-3-BUTYNOATE |
95924-34-8 | 95% | 100mg |
$175 | 2025-02-20 |
Methyl 2,2-dimethylbut-3-ynoate Production Method
Production Method 1
Reaction Conditions
1.1 Solvents: Diethyl ether ; 0 °C; 0 °C → rt; overnight, rt
Reference
Production Method 2
Reaction Conditions
1.1 Solvents: Diethyl ether ; 0 °C; 0 °C → rt; overnight, rt
Reference
- Indolyl cycloalkylcarboxamide compounds as modulators of ATP-binding cassette transporters and their preparation, pharmaceutical compositions and use in the treatment of diseases, United States, , ,
Production Method 3
Reaction Conditions
Reference
- Synthesis and Structure-Activity Relationships of Side-Chain-Substituted Analogs of the Allylamine Antimycotic Terbinafine Lacking the Central Amino FunctionNussbaumer, Peter; Leitner, Ingrid; Mraz, Karin; Stuetz, Anton, Journal of Medicinal Chemistry, 1995, 38(10), 1831-6
Production Method 4
Reaction Conditions
1.1 Reagents: Pyridine ; rt → 70 °C; 18.5 h, 70 °C; 70 - 90 °C; 53.5 h, 90 °C
Reference
- Preparation of macrocyclic peptides as inhibitors of flaviviridae viruses, World Intellectual Property Organization, , ,
Production Method 5
Reaction Conditions
1.1 Solvents: Pyridine ; 18.5 h, rt → 70 °C; 70 °C → 90 °C; 72 h, 90 °C
1.2 Reagents: Hydrochloric acid Solvents: Diethyl ether , Water
1.2 Reagents: Hydrochloric acid Solvents: Diethyl ether , Water
Reference
- Macrocyclic inhibitors of flaviviridae viruses, World Intellectual Property Organization, , ,
Production Method 6
Reaction Conditions
1.1 Solvents: Diethyl ether ; 0 °C; 0 °C → rt; overnight, rt
Reference
- Preparation of indolyl cycloalkylcarboxamides as modulators of ATP-binding cassette transporters for use as drugs and biological tools, World Intellectual Property Organization, , ,
Production Method 7
Reaction Conditions
Reference
- Acid-Amide Intermolecular Hydrogen BondingWash, Paul L.; Maverick, Emily; Chiefari, John; Lightner, David A., Journal of the American Chemical Society, 1997, 119(16), 3802-3806
Methyl 2,2-dimethylbut-3-ynoate Raw materials
- 2,2-Dimethylbut-3-ynoic acid
- 3-Butenoic acid, 2,2-dimethyl-3-[[(trifluoromethyl)sulfonyl]oxy]-, methyl ester
Methyl 2,2-dimethylbut-3-ynoate Preparation Products
Methyl 2,2-dimethylbut-3-ynoate Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
95924-34-8 (Methyl 2,2-dimethylbut-3-ynoate) Related Products
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