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CAS No.: | 66990-32-7 |
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Name: | 10,12-PENTACOSADIYNOIC ACID |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C25H42O2 |
Molecular Weight: | 374.607 |
Synonyms: | DA3261;Pentacosa-10,12-diynoic acid; |
Density: | 0.93 g/cm3 |
Melting Point: | 62-63 °C |
Boiling Point: | 522.5 °C at 760 mmHg |
Flash Point: | 246.9 °C |
Solubility: | Slightly soluble in water. |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 37.30000 |
LogP: | 7.50960 |
undec-10-ynoic acid
1-chloro-tetradec-1-yne
10,12-pentacosanodiynoic acid
Conditions | Yield |
---|---|
With potassium hydroxide; methylamine; copper(l) chloride In tetrahydrofuran; methanol; water 1) 20 deg C, 4 h, 2) 40 deg C, 1 h; | 52% |
10,12-pentacosanodiynoic acid
pentacosa-10,12-diynoyl chloride
Conditions | Yield |
---|---|
With oxalyl dichloride In dichloromethane | 100% |
With thionyl chloride In Petroleum ether for 3h; Heating; | 98% |
With phosphorus pentachloride In benzene Heating; |
1-hydroxy-pyrrolidine-2,5-dione
10,12-pentacosanodiynoic acid
N-succinimidyl 10,12-pentacosadiynoic acid ester
Conditions | Yield |
---|---|
With N-(3-dimethylaminopropyl)-N-ethylcarbodiimide In dichloromethane at 20℃; for 12h; Inert atmosphere; | 100% |
With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; for 7h; | 97% |
With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; for 2h; | 96% |
10,12-pentacosanodiynoic acid
10,12-pentacosadiynoic acid fluoride
Conditions | Yield |
---|---|
With pyridine; trifluoro-[1,3,5]triazine In dichloromethane for 3h; Heating; | 99% |
With dmap; trifluoromethyl trifluoromethanesulfonate In dichloromethane at 20℃; for 1h; Inert atmosphere; Schlenk technique; | 78% |
Conditions | Yield |
---|---|
for 1.5h; Milling; | 98% |
10,12-pentacosanodiynoic acid
ethyl 2-(5-(N-(2-(2-(2-(2,3-diaminopropanoylamino)ethoxy)ethyl)carbamoyl)-3-bis(ethoxycarbonyl)methyl)amino)acetate
Conditions | Yield |
---|---|
With (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; triethylamine In acetonitrile for 12h; Ambient temperature; | 97% |
10,12-pentacosanodiynoic acid
Conditions | Yield |
---|---|
With (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; triethylamine In chloroform; N,N-dimethyl-formamide at 25℃; for 15h; Substitution; | 96% |
10,12-pentacosanodiynoic acid
10,12-pentacosadiyne-1-ol
Conditions | Yield |
---|---|
With lithium aluminium tetrahydride In diethyl ether at 20℃; for 1.5h; Inert atmosphere; | 96% |
With lithium aluminium tetrahydride In diethyl ether at 4 - 20℃; for 1.5h; Inert atmosphere; | 96% |
With lithium aluminium tetrahydride In tetrahydrofuran at 0 - 20℃; for 1.75h; | 91% |
Conditions | Yield |
---|---|
for 0.75h; Milling; | 96% |
10,12-pentacosanodiynoic acid
(S)-2,5-Bis-pentacosa-10,12-diynoylamino-pentanoic acid ethyl ester
Conditions | Yield |
---|---|
With (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; triethylamine In chloroform at 25℃; for 12h; | 95% |
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The 10,12-Pentacosadiynoicacid is an organic compound with the formula C25H42O2. The systematic name of this chemical is pentacosa-10,12-diynoic acid. With the CAS registry number 66990-32-7, it is also named as 10-12-Pentacosadiynoic acid. The product's categories are Acetylenes; Acetylenic Carboxylic Acids & Their Derivatives; Diacetylene Monocarboxylic Acids; Functional Materials; LB Films. Besides, it should be stored in a closed cool and dry place.
Physical properties about 10,12-Pentacosadiynoicacid are: (1)ACD/LogP: 10.23; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.43; (4)ACD/LogD (pH 7.4): 7.64; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 89697.19; (7)ACD/KOC (pH 5.5): 1395197.5; (8)ACD/KOC (pH 7.4): 22369; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 19; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.485; (14)Molar Refractivity: 115.44 cm3; (15)Molar Volume: 402.4 cm3; (16)Polarizability: 45.76×10-24cm3; (17)Surface Tension: 38.8 dyne/cm; (18)Density: 0.93 g/cm3; (19)Flash Point: 246.9 °C; (20)Enthalpy of Vaporization: 87.09 kJ/mol; (21)Boiling Point: 522.5 °C at 760 mmHg; (22)Vapour Pressure: 2.56E-12 mmHg at 25°C.
Preparation of 10,12-Pentacosadiynoicacid: this chemical can be prepared by undec-10-ynoic acid and 1-chloro-tetradec-1-yne. This reaction will need reagents KOH, CuCl, MeNH2 and solvents tetrahydrofuran, methanol, H2O. The reaction time is 4 hours with reaction temperature of 20 °C. The yield is about 52%.
Uses of 10,12-Pentacosadiynoicacid: it can be used to produce pentacosa-10,12-diynoyl chloride. It will need reagent (COCl)2 and solvent CH2Cl2. The yield is about 100%.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCCCCCCCC#CC#CCCCCCCCCCCCC
(2)InChI: InChI=1/C25H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27/h2-12,17-24H2,1H3,(H,26,27)
(3)InChIKey: ZPUDRBWHCWYMQS-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C25H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27/h2-12,17-24H2,1H3,(H,26,27)
(5)Std. InChIKey: ZPUDRBWHCWYMQS-UHFFFAOYSA-N