Cas no 534-59-8 (Butylmalonic acid)
Butylmalonic acid Chemical and Physical Properties
Names and Identifiers
-
- 2-Butylmalonic acid
- n-Butylmalonic acid
- butyl malonic acid
- 2-Butylmalonate
- 2-n-butyl malonic acid
- 2-n-butylmalonate
- Butyl manonic acid
- Butylmalonate
- Butylmalonic
- Butyl-malonsaeure
- butyl-propanedioic acid
- Malonic acid,butyl
- RARECHEM DK HD C014
- Malonicacid, butyl- (6CI,7CI,8CI)
- Propanedioic acid, butyl- (9CI)
- 1,1-Pentanedicarboxylic acid
- NSC 791
- a-Carboxycaproic acid
- 2-n-Butylmalonic acid
- Butylmalonic acid
- 2-butylpropanedioic acid
- Propanedioic acid, butyl-
- Malonic acid, butyl-
- .alpha.-Carboxycaproic acid
- 4X9O8XSJ0E
- MCRZWYDXIGCFKO-UHFFFAOYSA-N
- alpha-Carboxycaproic acid
- Butyl malonate
- n-Butyl malonate
- 2-butyl-malonic acid
- Pentanedicarboxylic acid
- Butylmalonic acid, 99%
- Maybridge1_006453
- SCHEMBL39429
- propanedioic acid, butyl- (en)
- B4414
- Q27260635
- Propanedioic acid, monobutyl ester
- N-BUTYLMALONIC ACID [MI]
- CS-0315860
- J-802169
- 2-Butylmalonicacid
- FT-0632331
- D86332
- HMS559N07
- NSC791
- NSC-791
- NS00042572
- EINECS 208-602-7
- DTXSID10870594
- UNII-4X9O8XSJ0E
- SY051521
- MFCD00002673
- 534-59-8
- 681812-90-8
- AS-12446
- 5917-45-3
- AKOS004908981
- DB-052338
- butylpropanedioic acid
- STL581861
- Malonic acid, butyl-(8CI)
- 208-602-7
- Propanedioic acid, butyl-(9CI)
-
- MDL: MFCD00002673
- Inchi: 1S/C7H12O4/c1-2-3-4-5(6(8)9)7(10)11/h5H,2-4H2,1H3,(H,8,9)(H,10,11)
- InChI Key: MCRZWYDXIGCFKO-UHFFFAOYSA-N
- SMILES: OC(C(C(=O)O)CCCC)=O
Computed Properties
- Exact Mass: 160.07400
- Monoisotopic Mass: 160.073559
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 139
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 1.3
- Topological Polar Surface Area: 74.6
Experimental Properties
- Color/Form: White crystalline powder
- Density: 1.3681 (rough estimate)
- Melting Point: 101.0 to 105.0 deg-C
- Boiling Point: 328.8°C (rough estimate)
- Flash Point: 169.4 °C
- Refractive Index: 1.4344 (estimate)
- PSA: 74.60000
- LogP: 0.96200
- Merck: 1576
- pka: pK (5°): 2.96
- Solubility: Not determined
Butylmalonic acid Security Information
-
Symbol:
- Prompt:warning
- Signal Word:warning
- Hazard Statement: H315-H319
- Warning Statement: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- WGK Germany:3
- Hazard Category Code: R22;R36/37/38
- Safety Instruction: S26-S37/39
-
Hazardous Material Identification:
- Storage Condition:Store in a cool, dry place. Store in tightly closed containers.
- Risk Phrases:R22; R36/37/38
- Safety Term:S26;S37/39
Butylmalonic acid Customs Data
- HS CODE:2917190090
- Customs Data:
China Customs Code:
2917190090Overview:
2917190090 Other acyclic polycarboxylic acids. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to, Terephthalic acid please specify4-CBAvalue, Terephthalic acid please specifyP-TLacid value, Terephthalic acid please indicate color, Terephthalic acid please indicate moisture
Summary:
2917190090 acyclic polycarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
Butylmalonic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | B838177-100mg |
Butylmalonic Acid |
534-59-8 | ,99% | 100mg |
980.00 | 2021-05-17 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | B902399-25g |
Butylmalonic Acid |
534-59-8 | ≥98% | 25g |
1,439.10 | 2021-05-17 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B4414-5g |
Butylmalonic acid |
534-59-8 | 98.0%(GC&T) | 5g |
¥550.0 | 2022-05-30 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B4414-25g |
Butylmalonic acid |
534-59-8 | 98.0%(GC&T) | 25g |
¥1920.0 | 2022-05-30 | |
| Fluorochem | 222842-25g |
2-Butylmalonic acid |
534-59-8 | 95% | 25g |
£156.00 | 2022-02-28 | |
| TRC | B789410-50mg |
Butylmalonic Acid |
534-59-8 | 50mg |
$ 50.00 | 2022-06-06 | ||
| TRC | B789410-100mg |
Butylmalonic Acid |
534-59-8 | 100mg |
$ 65.00 | 2022-06-06 | ||
| TRC | B789410-500mg |
Butylmalonic Acid |
534-59-8 | 500mg |
$ 80.00 | 2022-06-06 | ||
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | B152310-25G |
Butylmalonic acid |
534-59-8 | >98.0%(GC)(T) | 25g |
¥1483.90 | 2023-09-04 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | B152310-100g |
Butylmalonic acid |
534-59-8 | >98.0%(GC)(T) | 100g |
¥4058.90 | 2023-09-04 |
Butylmalonic acid Suppliers
Butylmalonic acid Related Literature
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Subhendu Dhibar,Priya Yadav,Tanima Paul,Keka Sarkar,Asoke Prasun Chattopadhyay,Anna Krawczuk,Biswajit Dey Dalton Trans. 2019 48 4362
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2. Kinetics of the formation of iron(III) monochelates with substituted malonic acidsF. P. Cavasino,E. Di Dio J. Chem. Soc. A 1971 3176
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3. Kinetics of the reactions of the nickel(II) ion with methyl- and n-butylmalonic acidsG. Calvaruso,F. P. Cavasino,E. Di Dio J. Chem. Soc. Dalton Trans. 1972 2632
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4. 690. cycloPropanes. Part I. The malonate condensation with 1 : 4-dibromobut-2-ene. A convenient new route to vinylcyclopropane derivativesR. W. Kierstead,R. P. Linstead,B. C. L. Weedon J. Chem. Soc. 1952 3610
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John Alexander McRae,Richard Helmuth Fred Manske J. Chem. Soc. 1928 484
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Fatty Acyls Medium-chain fatty acids
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Medium-chain fatty acids
- Solvents and Organic Chemicals Organic Compounds Acids/Esters
Additional information on Butylmalonic acid
Butylmalonic acid (CAS No. 534-59-8): A Key Intermediate in Modern Chemical Synthesis and Pharmaceutical Applications
Butylmalonic acid, identified by the chemical compound code CAS No. 534-59-8, is a significant intermediate in the realm of organic synthesis and pharmaceutical development. This compound, with the molecular formula C?H??O?, features a malonic acid derivative structure that lends itself to a variety of synthetic pathways. Its utility spans across multiple industries, particularly in the production of fine chemicals and active pharmaceutical ingredients (APIs). The versatility of Butylmalonic acid stems from its reactive sites, which allow for facile modifications and functionalizations, making it a cornerstone in the synthesis of more complex molecules.
The chemical properties of CAS No. 534-59-8 make it particularly valuable in the pharmaceutical sector. Butylmalonic acid serves as a precursor in the synthesis of various heterocyclic compounds, which are integral to many modern drugs. Its structural framework can be readily modified to introduce different substituents, enabling the creation of diverse pharmacophores. Recent advancements in synthetic methodologies have highlighted its role in constructing complex molecular architectures, thereby facilitating the development of novel therapeutic agents.
In recent years, there has been a surge in research focused on optimizing synthetic routes that utilize Butylmalonic acid. One notable area of investigation involves its application in asymmetric synthesis, where chiral auxiliaries or catalysts are employed to induce enantioselectivity. This approach has led to the efficient production of enantiomerically pure compounds, which are crucial for many pharmaceutical applications due to their distinct biological activities. The ability to tailor the stereochemistry of molecules derived from CAS No. 534-59-8 underscores its importance in modern drug discovery.
The pharmaceutical industry has also leveraged Butylmalonic acid for the synthesis of anti-inflammatory and analgesic agents. For instance, derivatives of malonic acids have been explored as potential inhibitors of cyclooxygenase enzymes (COX), which play a pivotal role in inflammation pathways. By modifying the side chains and functional groups of butylmalonic acid, researchers have been able to develop compounds with enhanced potency and selectivity. Such innovations highlight the compound's significance in addressing chronic inflammatory conditions.
Beyond pharmaceuticals, CAS No. 534-59-8 finds applications in agrochemicals and specialty chemicals. Its derivatives are used as intermediates in the synthesis of herbicides and pesticides, where their structural properties contribute to improved efficacy and environmental safety. Additionally, butylmalonic acid-based compounds have been investigated for their potential use as corrosion inhibitors and polymer additives, showcasing its broad utility across different sectors.
The environmental impact of chemical synthesis has prompted research into greener methodologies that utilize Butylmalonic acid. Catalytic processes that minimize waste and energy consumption have gained traction, aligning with global sustainability goals. For example, biocatalytic approaches employing enzymes to modify butylmalonic acid derivatives offer a more sustainable alternative to traditional chemical reactions. These innovations not only enhance efficiency but also reduce the ecological footprint of industrial processes.
The future prospects for Butylmalonic acid are promising, with ongoing research exploring new applications and synthetic strategies. Advances in computational chemistry and artificial intelligence are expected to further accelerate the discovery of novel derivatives with tailored properties. As the demand for high-value chemical intermediates grows, CAS No. 534-59-8 will continue to play a pivotal role in shaping the landscape of organic synthesis and pharmaceutical development.
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