CAS No.39690-06-7,TETRAHYDROCANNABINOL-7-OIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	39690-06-7
Name:	TETRAHYDROCANNABINOL-7-OIC ACID
Article Data:	3

Formula:	C₂₁H₂₈O₄
Molecular Weight:	344.451
Synonyms:	6H-Dibenzo[b,d]pyran-9-carboxylicacid, 6a,7,10,10a-tetrahydro-1-hydroxy-6,6-dimethyl-3-pentyl-, (6aR-trans)-;(-)-9-Nor-9-carboxy-D8-tetrahydrocannabinol;11-Nor-δ8-tetrahydrocannabinol-8-carboxylic acid;9-Carboxy-11-nor-δ8-tetrahydrocannabinol;δ1(6)-Tetrahydrocannabinol-7-oicacid;δ6-Tetrahydrocannabinol-7-oicacid;δ8-THC-11-oic acid;
Density:	1.14 g/cm³
Boiling Point:	459.2 °C at 760 mmHg
Flash Point:	154.8 °C
Solubility:	Soluble in ethanol
Appearance:	vacuum-dried powder
Risk Codes:	23/24/25-36/38-39/23/24/25
Safety:	7-16-24-33-36/37-45
PSA:	66.76000
LogP:	4.80050

Synthetic route

: 124-38-9
carbon dioxide

: 949595-94-2
C35H52N2O4S

A: (6aR,10aR)-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol

B: 39690-06-7
D8-THC-11-oic acid

C: 36557-05-8, 56354-06-4, 64280-14-4, 104874-50-2, 114028-39-6, 122797-75-5
11-nor-9-carboxt-Δ-9-tetrahydrocannabinol

D: 52171-84-3
9-Nor-D8-tetrahydrocannabinol

Conditions

Conditions	Yield
Stage #1: C35H52N2O4S With n-butyllithium; N,N,N,N,-tetramethylethylenediamine In hexane at -78 - 0℃; for 1.5h; Shapiro reaction; Stage #2: carbon dioxide In hexane at 0℃; for 0.166667h; Further stages.;	A n/a B n/a C 183 mg D n/a

...Expand

CH2 Cl2 -petroleum ether: CH2 Cl2 -petroleum ether

: 51263-84-4
11-nor-Δ8-tetrahydrocannabinol-9-carboxylic acid methyl ester

: 39690-06-7
D8-THC-11-oic acid

Conditions

Conditions	Yield
With sodium hydroxide In methanol; water

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Specification

The 6H-Dibenzo[b,d]pyran-9-carboxylicacid, 6a,7,10,10a-tetrahydro-1-hydroxy-6,6-dimethyl-3-pentyl-, (6aR,10aR)-, with the CAS registry number 39690-06-7, is also known as δ(6)-Tetrahydrocannabinol-7-oic acid. This chemical's molecular formula is C₂₁H₂₈O₄ and molecular weight is 344.44. What's more, its systematic name is (6aR,10aR)-1-hydroxy-6,6-dimethyl-3-pentyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromene-9-carboxylic acid. Its storage temperature is -20 °C.

Physical properties of 6H-Dibenzo[b,d]pyran-9-carboxylicacid, 6a,7,10,10a-tetrahydro-1-hydroxy-6,6-dimethyl-3-pentyl-, (6aR,10aR)- are: (1)ACD/LogP: 6.06; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.24; (4)ACD/LogD (pH 7.4): 3.44; (5)ACD/BCF (pH 5.5): 3595.41; (6)ACD/BCF (pH 7.4): 57.1; (7)ACD/KOC (pH 5.5): 7128.26; (8)ACD/KOC (pH 7.4): 113.21; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 44.76 Å²; (13)Index of Refraction: 1.554; (14)Molar Refractivity: 96.88 cm³; (15)Molar Volume: 301.9 cm³; (16)Polarizability: 38.41×10^-24 cm³; (17)Surface Tension: 43.5 dyne/cm; (18)Density: 1.14 g/cm³; (19)Flash Point: 154.8 °C; (20)Enthalpy of Vaporization: 75.83 kJ/mol; (21)Boiling Point: 459.2 °C at 760 mmHg; (22)Vapour Pressure: 3.15E-09 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is toxic by inhalation, in contact with skin and if swallowed. Also it is irritating to eyes and skin. When using it, you should keep container tightly closed and keep away from sources of ignition - No smoking, and you wear suitable protective clothing and gloves. What's more, you should avoid contact with skin. And take precautionary measures against static discharges. In case of accident or if you feel unwell, you should seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C(O)/C3=C/C[C@@H]1[C@H](c2c(OC1(C)C)cc(cc2O)CCCCC)C3
(2)InChI: InChI=1/C21H28O4/c1-4-5-6-7-13-10-17(22)19-15-12-14(20(23)24)8-9-16(15)21(2,3)25-18(19)11-13/h8,10-11,15-16,22H,4-7,9,12H2,1-3H3,(H,23,24)/t15-,16-/m1/s1
(3)InChIKey: OGXXAQFMAFTSRU-HZPDHXFCBT