Sodium abietate supplier | CasNO.14351-66-7

Name
ABIETIC ACID SODIUM SALT
EINECS 238-313-1
CAS No. 14351-66-7
Density
Solubility
Melting Point 290°C
Formula C₂₀H₂₉NaO₂
Boiling Point 439.5 °C at 760 mmHg
Molecular Weight 324.439
Flash Point 208.1 °C
Transport Information
Appearance gray powder complex
Safety
Risk Codes R36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Abietic acid sodium salt;1-Phenanthrenecarboxylicacid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-,sodium salt, (1R,4aR,4bR,10aR)- (9CI);1-Phenanthrenecarboxylic acid,1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, sodiumsalt, [1R-(1a,4ab,4ba,10aa)]-;Podocarpa-7,13-dien-15-oic acid, 13-isopropyl-, sodium salt (8CI);1-Phenanthrenecarboxylicacid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-,sodium salt (1:1), (1R,4aR,4bR,10aR)-;
PSA 40.13000
LogP 3.87150

Synthetic route

: 75-36-5
acetyl chloride

: 14351-66-7
abietic acid sodium salt

A: 19897-44-0
7,13-Abietadien-18-oic acid anhydride

B: acetic (1R,4aR)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydropbenanthrene-1-carboxylic anhydride

Conditions

Conditions	Yield
In diethyl ether at 20℃; for 3h; Condensation;	A n/a B 41%

...Expand

: 98-88-4
benzoyl chloride

: 14351-66-7
abietic acid sodium salt

A: 19897-44-0
7,13-Abietadien-18-oic acid anhydride

B: Abietic benzoic anhydride

Conditions

Conditions	Yield
In diethyl ether at 25℃; for 11h; Acylation;	A n/a B 34%

...Expand

: 14351-66-7
abietic acid sodium salt

: 112-76-5
Stearoyl chloride

: Abietic stearic anhydride

Conditions

Conditions	Yield
In diethyl ether at 35℃; for 11h; Acylation;	21%

: 14351-66-7
abietic acid sodium salt

A: (1R,3R,4aR,4bR,10aR)-3-Hydroxy-7-isopropenyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydro-phenanthrene-1-carboxylic acid

B: 82540-29-2
2α-hydroxyabietic acid

C: 82540-35-0
(1R,3R,4aR,4bR,10aR)-3-Hydroxy-7-(1-hydroxy-1-methyl-ethyl)-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydro-phenanthrene-1-carboxylic acid

D: (1R,3R,4aR,4bR,10aR)-3-Hydroxy-7-(2-hydroxy-1-methyl-ethyl)-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydro-phenanthrene-1-carboxylic acid

Conditions

Conditions	Yield
at 35℃; for 23h; aerob fermentation by Mortierella isabellina;
at 35℃; for 14h; aerob fermentation by Mortierella isabellina;

...Expand

: 14351-66-7
abietic acid sodium salt

A: 82540-35-0
(1R,3R,4aR,4bR,10aR)-3-Hydroxy-7-(1-hydroxy-1-methyl-ethyl)-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydro-phenanthrene-1-carboxylic acid

B: (1R,3R,4aR,4bR,10aR)-3-Hydroxy-7-(2-hydroxy-1-methyl-ethyl)-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydro-phenanthrene-1-carboxylic acid

Conditions

Conditions	Yield
at 35℃; for 27h; aerob fermentation by Mortierella isabellina;

: 124-63-0
methanesulfonyl chloride

: 14351-66-7
abietic acid sodium salt

: Abietic methanesulfonic anhydride

Conditions

Conditions	Yield
In diethyl ether Condensation; Heating;

: 98-59-9
p-toluenesulfonyl chloride

: 14351-66-7
abietic acid sodium salt

: Abietic p-toluenesulfonic anhydride

Conditions

Conditions	Yield
In diethyl ether Condensation; Heating;

: 14351-66-7
abietic acid sodium salt

: 127-25-3
methyl abietate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: diethyl ether / 11 h / 25 °C 2: 49 percent / H2SO4 / benzene / 30 h / 65 °C View Scheme
Multi-step reaction with 2 steps 1: diethyl ether / 3 h / 20 °C 2: 49 percent / H2SO4 / benzene / 30 h / 65 °C View Scheme

: 14351-66-7
abietic acid sodium salt

: 105498-97-3
2-Diethylaminoethyl abietate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: diethyl ether / 11 h / 25 °C 2: H2SO4 / 2 h / 160 °C View Scheme
Multi-step reaction with 2 steps 1: diethyl ether / 3 h / 20 °C 2: H2SO4 / 2 h / 160 °C View Scheme

: 14351-66-7
abietic acid sodium salt

: 631-71-0
ethyl abietate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: diethyl ether / 11 h / 25 °C 2: 72 percent / H2SO4 / benzene / 20 h / 78 °C View Scheme
Multi-step reaction with 2 steps 1: diethyl ether / 3 h / 20 °C 2: 72 percent / H2SO4 / benzene / 20 h / 78 °C View Scheme

: 14351-66-7
abietic acid sodium salt

: (1R,4aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxamide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: diethyl ether / 11 h / 25 °C 2: 26 percent / NH3 / benzene / 70 °C View Scheme
Multi-step reaction with 2 steps 1: diethyl ether / 3 h / 20 °C 2: 26 percent / NH3 / benzene / 70 °C View Scheme

: 14351-66-7
abietic acid sodium salt

: Abietohydroxamic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: diethyl ether / 11 h / 25 °C 2: 14 percent / hydroxylamine; NaOH / 32 h / 60 °C View Scheme
Multi-step reaction with 2 steps 1: diethyl ether / 3 h / 20 °C 2: 14 percent / hydroxylamine; NaOH / 32 h / 60 °C View Scheme

: 14351-66-7
abietic acid sodium salt

: Abietohydrazide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: diethyl ether / 11 h / 25 °C 2: 33 percent / hydrazine hydrate / 7 h / 120 °C View Scheme
Multi-step reaction with 2 steps 1: diethyl ether / 3 h / 20 °C 2: 33 percent / hydrazine hydrate / 7 h / 120 °C View Scheme

: 14351-66-7
abietic acid sodium salt

: (1R,4aR)-N,N-diethyl-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxamide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: diethyl ether / 11 h / 25 °C 2: 68 percent / benzene / Heating View Scheme
Multi-step reaction with 2 steps 1: diethyl ether / 3 h / 20 °C 2: 68 percent / benzene / Heating View Scheme

: 14351-66-7
abietic acid sodium salt

: Phenyl abietate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: diethyl ether / 11 h / 25 °C 2: 61 percent / hydroquinone / 3 h / 160 °C View Scheme
Multi-step reaction with 2 steps 1: diethyl ether / 3 h / 20 °C 2: 61 percent / hydroquinone / 3 h / 160 °C View Scheme

: 14351-66-7
abietic acid sodium salt

: Abietyl phenyl ketone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: diethyl ether / 11 h / 25 °C 2: 12 g / AlCl3 / 0.5 h / 80 °C View Scheme
Multi-step reaction with 2 steps 1: diethyl ether / 3 h / 20 °C 2: 12 g / AlCl3 / 0.5 h / 80 °C View Scheme

: 14351-66-7
abietic acid sodium salt

: Abietoylurea

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: diethyl ether / 11 h / 25 °C 2: 20 percent / pyridine / 6 h / 125 °C View Scheme
Multi-step reaction with 2 steps 1: diethyl ether / 3 h / 20 °C 2: 20 percent / pyridine / 6 h / 125 °C View Scheme

: 14351-66-7
abietic acid sodium salt

: (1R,4aR,4bR,10aR)-7-isopropyl-1,4a-dimethyl-N-phenyl-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxamide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: diethyl ether / 11 h / 25 °C 2: 52 percent / 1,2-dihydroxybenzene / 2 h / Heating View Scheme
Multi-step reaction with 2 steps 1: diethyl ether / 3 h / 20 °C 2: 52 percent / 1,2-dihydroxybenzene / 2 h / Heating View Scheme

: 14351-66-7
abietic acid sodium salt

: Abietyl p-methoxyphenyl ketone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: diethyl ether / 11 h / 25 °C 2: AlCl3 / 80 °C View Scheme
Multi-step reaction with 2 steps 1: diethyl ether / 3 h / 20 °C 2: AlCl3 / 80 °C View Scheme

: 14351-66-7
abietic acid sodium salt

: Abietyl p-methoxyphenyl ketone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: diethyl ether / 11 h / 25 °C 2: AlCl3 / 80 °C View Scheme
Multi-step reaction with 2 steps 1: diethyl ether / 3 h / 20 °C 2: AlCl3 / 80 °C View Scheme

: 14351-66-7
abietic acid sodium salt

: N-Abietoylglycine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: diethyl ether / 11 h / 25 °C 2: 17 percent / pyridine; hydroquinone / H2O / 9 h / 80 °C View Scheme
Multi-step reaction with 2 steps 1: diethyl ether / 3 h / 20 °C 2: 17 percent / pyridine; hydroquinone / H2O / 9 h / 80 °C View Scheme

: 14351-66-7
abietic acid sodium salt

: Abietyl abietoylaminomethyl ketone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: diethyl ether / 11 h / 25 °C 2: 12 percent / pyridine; hydroquinone / H2O / 16 h / 80 °C View Scheme
Multi-step reaction with 2 steps 1: diethyl ether / 3 h / 20 °C 2: 12 percent / pyridine; hydroquinone / H2O / 16 h / 80 °C View Scheme

: 14351-66-7
abietic acid sodium salt

: (1R,3R,4aR,4bR,10aR)-3-Hydroxy-7-(2-hydroxy-1-methyl-ethyl)-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydro-phenanthrene-1-carboxylic acid methyl ester

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 27 h / 35 °C / aerob fermentation by Mortierella isabellina 2: 2.) pyridine 3: H2O/KOH / methanol / 5 h View Scheme

: 14351-66-7
abietic acid sodium salt

: methyl 2α-acetoxy-15-hydroxyabietate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 27 h / 35 °C / aerob fermentation by Mortierella isabellina 2: 2.) pyridine View Scheme

: 14351-66-7
abietic acid sodium salt

: methyl 2α,16-diacetoxyabietate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 27 h / 35 °C / aerob fermentation by Mortierella isabellina 2: 2.) pyridine View Scheme

Sodium abietate Specification

The Sodium abietate, with the CAS registry number 14351-66-7, is also known as Abietic acid sodium salt. It belongs to the product categories of Biochemistry; Terpenes; Terpenes (Others). Its EINECS registry number is 238-313-1. This chemical's molecular formula is C₂₀H₂₉NaO₂ and molecular weight is 324.43. What's more, its IUPAC name is sodium (1R, 4aR, 4bR, 10aR)-1, 4a-Dimethyl-7-propan-2-yl-2, 3, 4, 4b, 5, 6, 10, 10a-octahydrophenanthrene-1-carboxylate.

Physical properties about Sodium abietate are: (1)ACD/LogP: 6.51; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.59; (4)ACD/LogD (pH 7.4): 3.79; (5)ACD/BCF (pH 5.5): 6321.36; (6)ACD/BCF (pH 7.4): 99.52; (7)ACD/KOC (pH 5.5): 10031.41; (8)ACD/KOC (pH 7.4): 157.92; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 37.3 Å²; (13)Flash Point: 208.1 °C; (14)Enthalpy of Vaporization: 76.35 kJ/mol; (15)Boiling Point: 439.5 °C at 760 mmHg; (16)Vapour Pressure: 5.96E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [Na+].[O-]C(=O)[C@@]3(C)[C@@H]2C/C=C1/C=C(\CC[C@@H]1[C@@]2(C)CCC3)C(C)C
(2) InChI: InChI=1/C20H30O2.Na/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22;/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22);/q;+1/p-1/t16-,17+,19+,20+;/m0./s1
(3) InChIKey: ITCAUAYQCALGGV-SVFNMRKFBW

Product Name

ABIETIC ACID SODIUM SALT

Synthetic route

Sodium abietate Specification

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