CAS No.67416-61-9,3-ACETYL-11-KETO-BETA-BOSWELLIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	67416-61-9
Name:	3-ACETYL-11-KETO-BETA-BOSWELLIC ACID
Article Data:	2

Formula:	C₃₂H₄₈O₅
Molecular Weight:	512.73
Synonyms:	11-keto-b-boswellic acid acetate;3-Acetyl-11-keto-b-boswellicacid;3-O-Acetyl-11-keto-b-boswellic acid;3a-Acetoxy-11-oxo-12-ursen-24-oic acid;3a-Acetyl-11-keto-b-boswellic acid;AKBA;Acetyl-11-keto-b-boswellic acid;Acetyl-11-oxo-b-boswellic acid;
Density:	1.13 g/cm³
Melting Point:	271℃
Boiling Point:	600.3 °C at 760 mmHg
Flash Point:	184.4 °C
Risk Codes:	36/37/38
Safety:	26
PSA:	80.67000
LogP:	6.83930

Synthetic route

: 631-69-6, 3877-93-8
β-boswellic acid

: 17019-92-0
11-keto-β-boswellic acid

: 5968-70-7
3-O-acetyl-β-boswellic acid

: 108-24-7
acetic anhydride

: 67416-61-9
acetyl-11-keto-beta-boswellic acid

Conditions

Conditions	Yield
Stage #1: β-boswellic acid; 11-keto-β-boswellic acid; 3-O-acetyl-β-boswellic acid; acetic anhydride With pyridine at 20 - 65℃; for 3h; Stage #2: With chromium(VI) oxide; acetic anhydride In acetic acid at 40℃; for 2h; Product distribution / selectivity;

...Expand

: 67416-61-9
acetyl-11-keto-beta-boswellic acid

: 107-99-3
2-(dimethylamino)ethyl chloride

: (2'-N,N-dimethylaminoethyl) 3-O-acetyl-11-keto-β-boswellate

Conditions

Conditions	Yield
With sodium carbonate In acetone at 60℃; for 2h; Heating / reflux;	45%

: 67416-61-9
acetyl-11-keto-beta-boswellic acid

: C32H47ClO4

Conditions

Conditions	Yield
With thionyl chloride for 1h; Heating / reflux;

: α-boswellic acid

: 3-O-acetyl-α-boswellic acid

: 3416-24-8
2-amino-2-deoxyglucose

: 631-69-6, 3877-93-8
β-boswellic acid

: 17019-92-0
11-keto-β-boswellic acid

: 5968-70-7
3-O-acetyl-β-boswellic acid

: 67416-61-9
acetyl-11-keto-beta-boswellic acid

A: β-boswellic acid glucosamine salt

B: 11-keto-β-boswellic acid glucosamine salt

C: 3-O-acetyl-β-boswellic acid glucosamine salt

D: 3-O-acetyl-11-keto-β-boswellic acid glucosamine salt

E: α-boswellic acid glucosamine salt

F: 3-O-acetyl-α-boswellic acid glucosamine salt

Conditions

Conditions	Yield
In methanol; water at 20℃; for 1h; Product distribution / selectivity;

...Expand

: α-boswellic acid

: 3-O-acetyl-α-boswellic acid

: 631-69-6, 3877-93-8
β-boswellic acid

: 17019-92-0
11-keto-β-boswellic acid

: 5968-70-7
3-O-acetyl-β-boswellic acid

: 67416-61-9
acetyl-11-keto-beta-boswellic acid

: 66-84-2
D-(+)-glucosamine hydrochloride

A: β-boswellic acid glucosamine salt

B: 11-keto-β-boswellic acid glucosamine salt

C: 3-O-acetyl-β-boswellic acid glucosamine salt

D: 3-O-acetyl-11-keto-β-boswellic acid glucosamine salt

E: α-boswellic acid glucosamine salt

F: 3-O-acetyl-α-boswellic acid glucosamine salt

Conditions

Conditions	Yield
Stage #1: α-boswellic acid; 3-O-acetyl-α-boswellic acid; β-boswellic acid; 11-keto-β-boswellic acid; 3-O-acetyl-β-boswellic acid; acetyl-11-keto-beta-boswellic acid; D-(+)-glucosamine hydrochloride In methanol; water at 20℃; for 0.25h; Stage #2: With potassium hydroxide In methanol; water at 20℃; for 1.17h; Product distribution / selectivity;

...Expand

: 67416-61-9
acetyl-11-keto-beta-boswellic acid

: 66-84-2
D-(+)-glucosamine hydrochloride

: 3-O-acetyl-11-keto-β-boswellic acid glucosamine salt

Conditions

Conditions	Yield
Stage #1: acetyl-11-keto-beta-boswellic acid; D-(+)-glucosamine hydrochloride In methanol; water at 20℃; for 0.25h; Stage #2: With potassium hydroxide In methanol; water at 20℃; for 1.17h; Product distribution / selectivity;

: 67416-61-9
acetyl-11-keto-beta-boswellic acid

: 17019-92-0
11-keto-β-boswellic acid

Conditions

Conditions	Yield
With methanol; potassium hydroxide; water

: 67416-61-9
acetyl-11-keto-beta-boswellic acid

: 3α-acetoxy-4-cyano-11-keto-24-norurs-12-ene

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: thionyl chloride / 1 h / Heating / reflux 2: ammonia / tetrahydrofuran / 1.08 h / 0 °C 3: thionyl chloride / 1,2-dichloro-ethane / 6 h / Heating / reflux View Scheme

: 67416-61-9
acetyl-11-keto-beta-boswellic acid

: 3α-acetoxy-4-amino-11-keto-24-norurs-12-ene

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: thionyl chloride / 1 h / Heating / reflux 2: ammonia / tetrahydrofuran / 1.08 h / 0 °C 3: sodium hypobromide / 1,4-dioxane; water / 2 h / 65 - 75 °C View Scheme

: 67416-61-9
acetyl-11-keto-beta-boswellic acid

: 3-acetoxy-11-keto-24-norurs-12-en-4-isocyanate

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: thionyl chloride / 1 h / Heating / reflux 2: ammonia / tetrahydrofuran / 1.08 h / 0 °C 3: sodium hypobromide / water; acetone / 0.75 h / 70 - 75 °C View Scheme

Raw Materials

631-69-6

5968-70-7

17019-92-0

108-24-7

Downstream Products

17019-92-0

Total:108 Page 1 of 3 1 2 3 Next>>

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Specification

The Acetyl-11-keto-beta-boswellic acid is an organic compound with the formula C₃₂H₄₈O₅. The systematic name of this chemical is (3α)-3-(acetyloxy)-11-oxours-12-en-24-oic acid. With the CAS registry number 67416-61-9, it is also named as urs-12-en-24-oic acid, 3-(acetyloxy)-11-oxo-, (3α)-. The product's categories are Miscellaneous Natural Products; Pharmaceuticals. Besides, it should be stored at temperature of -20 °C.

Physical properties about Acetyl-11-keto-beta-boswellic acid are: (1)ACD/LogP: 8.00; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 6.76; (4)ACD/LogD (pH 7.4): 4.97; (5)ACD/BCF (pH 5.5): 40485.62; (6)ACD/BCF (pH 7.4): 663.88; (7)ACD/KOC (pH 5.5): 30680.92; (8)ACD/KOC (pH 7.4): 503.11; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 69.67 Å²; (13)Index of Refraction: 1.549; (14)Molar Refractivity: 143.22 cm³; (15)Molar Volume: 450.1 cm³; (16)Polarizability: 56.77×10^-24cm³; (17)Surface Tension: 45.7 dyne/cm; (18)Density: 1.13 g/cm³; (19)Flash Point: 184.4 °C; (20)Enthalpy of Vaporization: 97.58 kJ/mol; (21)Boiling Point: 600.3 °C at 760 mmHg; (22)Vapour Pressure: 5.85E-16 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. 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)[C@@]1(C)[C@H](OC(=O)C)CC[C@@]3(C)[C@H]1CC[C@]2([C@]5(/C(=C\C(=O)[C@@H]23)[C@@H]4[C@H]([C@@H](CC[C@]4(C)CC5)C)C)C)C
(2)InChI: InChI=1/C32H48O5/c1-18-9-12-28(4)15-16-30(6)21(25(28)19(18)2)17-22(34)26-29(5)13-11-24(37-20(3)33)32(8,27(35)36)23(29)10-14-31(26,30)7/h17-19,23-26H,9-16H2,1-8H3,(H,35,36)/t18-,19+,23-,24-,25+,26-,28-,29+,30-,31-,32-/m1/s1
(3)InChIKey: HMMGKOVEOFBCAU-BCDBGHSCBM
(4)Std. InChI: InChI=1S/C32H48O5/c1-18-9-12-28(4)15-16-30(6)21(25(28)19(18)2)17-22(34)26-29(5)13-11-24(37-20(3)33)32(8,27(35)36)23(29)10-14-31(26,30)7/h17-19,23-26H,9-16H2,1-8H3,(H,35,36)/t18-,19+,23-,24-,25+,26-,28-,29+,30-,31-,32-/m1/s1
(5)Std. InChIKey: HMMGKOVEOFBCAU-BCDBGHSCSA-N