3177-74-0

Basic information

• Product Name: 3,3-DIMETHYLPENTANOIC ACID
• Synonyms: 3,3-DIMETHYLPENTANOIC ACID;pentanoicacid,3,3-dimethyl-
• CAS NO: 3177-74-0
• Molecular Formula: C₇H₁₄O₂
• Molecular Weight: 130.18
• Mol File: 3177-74-0.mol
• Article Data: 5

Chemical Properties

• Melting Point: 53.5 °C
• Boiling Point: 213 °C(Press: 778 Torr)
• Appearance: /
• Density: 0.9348 g/cm3(Temp: 25 °C)
• PKA: 4.81±0.10(Predicted)
• CAS DataBase Reference: 3,3-DIMETHYLPENTANOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 3,3-DIMETHYLPENTANOIC ACID(3177-74-0)
• EPA Substance Registry System: 3,3-DIMETHYLPENTANOIC ACID(3177-74-0)

Safety Data

• Hazardous Substances Data: 3177-74-0(Hazardous Substances Data)

Upstream product

• 19264-94-9 3,3-dimethyl-1-pentanol 
• 40239-18-7 4,4-dimethyl-hexan-2-one 
• 78775-67-4 (1,1-Dimethylpropyl)malonsaeure 
• 71885-49-9 3,3-dimethyl-glutaric acid monoethyl ester 
• 6053-45-8 2,2-dimethyl-cyclopentane-1,1,3-tricarboxylic acid 
• 75-85-4 tert-Amyl alcohol 
• 75-35-4 1,1-Dichloroethylene 
• 594-36-5 2-methyl-2-butylchloride 
• 34887-09-7 1-chloro-3,3-dimethyl-pentane 
• 6802-75-1 diethyl isopropylidenemalonate 
• 78775-61-8 (1,1-Dimethylpropyl)malonsaeure-diethylester 
• 21079-27-6 diethyl 2-(1,1-dimethyl-2-propynyl)malonate 
• 41055-82-7 3,3-dimethyl-valeronitrile 
• 101186-01-0 3,3-dimethylpentanoic acid methyl ester 

Downstream Products

• 1260254-02-1 N,N-((R,R)-1,2-diphenylethane-1,2-diyl)bis(N,3,3-trimethylpentanamide) 
• 1327278-06-7 (R)-3-tert-pentyl-5,6-dihydro-5-phenyl-1,4-oxazin-2-one 
• 1327278-11-4 (3S,5R)-3-tert-pentyl-5-phenyl-morpholin-2-one 
• 1327277-94-0 N-((R)-2-hydroxy-1-phenylethyl)-3,3-dimethyl-pentanamide 
• 1327278-27-2 C₁₆H₂₃N₅O₇ 
• 1327278-28-3 C₁₆H₂₃N₅O₇ 
• 1327277-99-5 (R)-4,5-dihydro-2-(2,2-dimethylbutyl)-4-phenyloxazole 
• 1588498-39-8 3,3-dimethyl-N-(2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl)pentanamide 

Relevant articles and documents

Ligand-Enabled γ-C(sp3)?H Olefination of Free Carboxylic Acids

We report the ligand-enabled C?H activation/olefination of free carboxylic acids in the γ-position. Through an intramolecular Michael addition, δ-lactones are obtained as products. Two distinct ligand classes are identified that enable the challenging palladium-catalyzed activation of free carboxylic acids in the γ-position. The developed protocol features a wide range of acid substrates and olefin reaction partners and is shown to be applicable on a preparatively useful scale. Insights into the underlying reaction mechanism obtained through kinetic studies are reported.

HEPATITIS C INHIBITOR DIPEPTIDE ANALOGS

The present invention relates to compounds of formula (I): wherein R1, R2, R4, n and m are as defined herein and R3 is selected from: (i) -C(O)OR31 wherein R31 is (C1-6)alkyl or aryl, wherein the (C1-6)alkyl is optionally substituted with one to three halogen substituents; (ii) -C(O)NR32R33, wherein R32 and R33 are each independently selected form H, (C1-6)alkyl, and Het; (iii) -SOvR34, wherein v is 1 or 2 and R34 is selected from: (C1-6)alkyl, aryl, Het, and NR32R33 wherein R32 and R33 are as defined above; and (iv) -CO(O)-R35, wherein R35 is selected from (C1-8)alkyl, (C3-7)cycloalkyl-(C1-4)alkyl, aryl, aryl-(C1-6)alkyl, Het and Het-(C1-6)alkyl, each of which are optionally substituted with one or more substituents each independently selected from halo, (C1-6)alkyl, (C3-7)cycloalkyl, aryl, Het, hydroxyl, -O-(C1-6)alkyl, -S-(C1-6)alkyl, -SO-(C1-6)alkyl, -SO2-(C1-6)alkyl, -O-aryl, -S-aryl, -SO-aryl and -SO2-aryl, wherein the aryl portion of the -O-aryl, -S-aryl, -SO-aryl and -SO2-aryl are each optionally substituted with one to five halo substituents. The present invention further relates to pharmaceutical compositions containing the compounds of formula (I) and methods for using these analogs in the treatment of HCV infection.

Improved Synthesis of Tertiary Alkylacetic Acids and Esters

Tertiary alkylacetic acids (R3CCH2COOH) are prepared by reaction of 1,1-dichloroethene with a reagent capable of forming readily a tertiary alkyl carbenium ion with sulfuric acid in the absence of boron trifluoride.With tertiary butyl reagents, the yields are good and the method is convenient at laboratory and larger scales.The yields of carboxylic acids fall sharply with increasing steric effects.The esters are obtained directly, by adding alcohols, in a one-pot synthesis; with C1-C3 alcohols the reaction is selective.