10347-88-3

Basic information

• Product Name: 3-TERT-BUTYLADIPIC ACID
• Synonyms: DIMETHYLAMINE, 40 WT. % SOLUTION IN WATE R;3-Tert-butylhexandioicacid;3-T-BUTYL ADIPIC ACID 99%;3-tert-Butylhexanedioic acid;3-tert-Butyladipic acid,99%;3-tert-Butyladipic acid3-(1,1-Dimethylethyl)hexanedioic acid;3-tert-Butyl-1,6-hexanedioic acid;3-TERT-BUTYLADIPIC A
• CAS NO: 10347-88-3
• Molecular Formula: C₁₀H₁₈O₄
• Molecular Weight: 202.25
• EINECS: 233-759-3
• Product Categories: C10;Carbonyl Compounds;Carboxylic Acids
• Mol File: 10347-88-3.mol
• Article Data: 13

Chemical Properties

• Melting Point: 112-115 °C(lit.)
• Boiling Point: 375.34°C (rough estimate)
• Flash Point: 213 °C
• Appearance: white fine crystalline powder
• Density: 1.103
• Vapor Pressure: 6.55E-06mmHg at 25°C
• Refractive Index: 1.4393 (estimate)
• Water Solubility: 4.89g/L at 20℃
• CAS DataBase Reference: 3-TERT-BUTYLADIPIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 3-TERT-BUTYLADIPIC ACID(10347-88-3)
• EPA Substance Registry System: 3-TERT-BUTYLADIPIC ACID(10347-88-3)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38-36
• Safety Statements: 26-36
• WGK Germany: 3
• Hazardous Substances Data: 10347-88-3(Hazardous Substances Data)

Usage

Chemical Properties

white fine crystalline powder

Uses

3-(tert-Butyl)hexanedioic acid is a useful reactant for the synthesis of hexamethylenetetrathiafulvalene derivatives with substituted bulky alkyl groups which are studied for their transistor properties.

Synthesis Reference(s)

Journal of the American Chemical Society, 99, p. 4405, 1977 DOI: 10.1021/ja00455a032Synthesis, p. 915, 1988 DOI: 10.1055/s-1988-27754

Flammability and Explosibility

Notclassified

InChI:InChI=1/C10H18O4/c1-10(2,3)7(6-9(13)14)4-5-8(11)12/h7H,4-6H2,1-3H3,(H,11,12)(H,13,14)/p-2/t7-/m0/s1

Upstream product

• 98-52-2 4-(1,1-dimethylethyl)-cyclohexanol 
• 88828-77-7 1,2-Dimethyl-4-tert.-butyl-cyclohex-1-en 
• 98-53-3 4-tercbutyl-cyclohexanone 
• 5064-52-8 2-methyl-4-tert-butylcyclohexanone 
• 105601-75-0 Acetic acid (1R,3R)-3-((S)-4-tert-butyl-cyclohex-1-enyloxy)-1-methyl-butyl ester 
• 105661-76-5 (2R,4R)-2,4-dimethyl-9-(1,1-dimethylethyl)-1,5-dioxaspiro<5.5>undecane 
• 106034-33-7 (2R,3R)-8-tert-Butyl-2,3-dimethyl-1,4-dioxa-spiro[4.5]decane 
• 100190-34-9 (S)-4-tert-butyl-1-(trimethylsilyloxy)cyclohexene 
• 80452-16-0 1,2-dimethyl-4-tert-butylcyclohexanol 
• 81842-54-8 4-t-Butyl-2-nitrocyclohexanone 
• 60774-46-1 (2R,4S)-4-tert-Butyl-2-phenylsulfanyl-cyclohexanone 
• 7360-39-6 1-acetoxy-4-tert-butylcyclohexene 

Downstream Products

• 3875-52-3 tert-butylcyclopentane 
• 5581-94-2 3-tert-Butyl-cyclopentanone 

Relevant articles and documents

Efficient oxidation of cycloalkanols by sodium nitrite with molecular oxygen in trifluoroacetic acid

Oxidation of aliphatic cycloalkanols by sodium nitrite in trifluoroacetic acid gave α,ω-dicarboxylic acids in good yields. Adipic acid was obtained in a quantitative yield from cyclohexanol using 1 equiv of sodium nitrite under oxygen atmosphere but the oxidation required more than 3 equiv of sodium nitrite under nitrogen atmosphere. The oxidation method was applicable to the conversion of 1-alkanols to the corresponding carboxylic acids.

A new, modulated, oxidative ring cleavage of α-nitrocycloalkanones by Oxone: Synthesis of α,ω-dicarboxylic acids and α,ω-dicarboxylic acid monomethyl esters

By the appropriate choice of the reaction conditions Oxone produces the ring cleavage of α-nitrocycloalkanones affording good yields of α,ω-dicarboxylic acids and α,ω-dicarboxylic acid monomethyl esters, respectively, regardless the ring size and/or the presence of an alkyl group as substituent.

A New Oxidative Cleavage of 2-Nitrocycloalkanones by Hydrogen Peroxide: An Important, Efficient Method for Dicarboxylic Acid or Ketoacid Synthesis

2-Nitrocycloalkanones are smoothly converted into dicarboxylic acids or ketoacids, depending on whether the nitro group is secondary or tertiary, by treatment with aqueous 30percent hydrogen peroxide and potassium carbonate in methyl alcohol solution for 8-10 h at room temperature.

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TREATMENT OF CHAGAS DISEASE

The invention provides compounds of the formula: wherein L1 and L2 are independently selected from O and S; R1 is C3-C6straight or branched alkyl, C3-C7cycloalkyl, C5-C7cycloalkenyl, adamantly, phenyl or saturated heterocyclyl, any of which being optionally substituted; R2 is H, methyl or ethyl; R5 is NRxCORy, NRxRy, CH2COCH3, CH2C≡N, or a 5- or 6-membered heteroaryl group which is optionally substituted; X, Y and Z are independently N or CH; Rx is independently H or C1-C4alkyl; Ry is independently H, CrC4alkyl, phenyl or benzyl, either of which is optionally substituted; n is 0-3; salts, hydrates and N-oxides, wherein the optional substituents are further defined in the claims. The compounds have utility in the prophylaxis or treatment of trypanosomal diseases, such as T. cruzi (Chagas disease).