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N-Oleoylsarcosine

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Name

N-Oleoylsarcosine

EINECS 203-749-3
CAS No. 110-25-8 Density 0.961g/cm3
PSA 57.61000 LogP 5.56690
Solubility N/A Melting Point 16.1-17.0oC
Formula C21H39NO3 Boiling Point 499.4 °C at 760 mmHg
Molecular Weight 353.546 Flash Point 255.9 °C
Transport Information N/A Appearance light yellow liquid
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 110-25-8 (N-OLEOYLSARCOSINE) Hazard Symbols N/A
Synonyms

N-OLEOYLSARCOSINE; N-Oleoylsarcosine; N-cis-Octadecenoylsarcosine;

Article Data 5

N-Oleoylsarcosine Synthetic route

N-oleoylsarcosine methyl ester

110-25-8

N-oleoylsarcosine

Conditions
ConditionsYield
Stage #1: N-oleoylsarcosine methyl ester With lithium hydroxide In ethanol; water at 20℃; for 12h;
Stage #2: With hydrogenchloride In water pH=2;
98%
4316-73-8

sodium sarcosinate

oleic acid chloride

110-25-8

N-oleoylsarcosine

Conditions
ConditionsYield
With water; sodium hydroxide In toluene at 30℃; for 1h; Solvent;97.8%
112-77-6

(Z)-9-octadecenoyl chloride

107-97-1

sarcosine

110-25-8

N-oleoylsarcosine

Conditions
ConditionsYield
With sodium hydroxide
107-97-1

sarcosine

112-80-1

cis-Octadecenoic acid

4316-73-8

sodium sarcosinate

110-25-8

N-oleoylsarcosine

Conditions
ConditionsYield
In water; isopropyl alcohol
112-77-6

(Z)-9-octadecenoyl chloride

110-25-8

N-oleoylsarcosine

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: N-ethyl-N,N-diisopropylamine / dichloromethane; methanol / 0 - 20 °C
2.1: lithium hydroxide / ethanol; water / 12 h / 20 °C
2.2: pH 2
View Scheme
110-25-8

N-oleoylsarcosine

1016-58-6

6-nitroveratryl alcohol

1413644-53-7

4,5-dimethoxy-2-nitrobenzyl [methyl(oleoyl)amino]acetate

Conditions
ConditionsYield
Stage #1: N-oleoylsarcosine With dmap; dicyclohexyl-carbodiimide In dichloromethane at 0 - 20℃; Inert atmosphere;
Stage #2: 6-nitroveratryl alcohol In dichloromethane at 20℃; Inert atmosphere;
82%
104-76-7

2-Ethylhexyl alcohol

110-25-8

N-oleoylsarcosine

2-ethylhexyl N-oleoylsarcosinate

Conditions
ConditionsYield
at 150℃; for 3h; Inert atmosphere; Dean-Stark;
at 150℃; for 3h; Dean-Stark; Inert atmosphere;421.7 g
at 150℃; for 3h; Dean-Stark; Inert atmosphere;421.7 g
at 150℃; for 3h; Dean-Stark; Inert atmosphere; Reflux;421.7 g
104-75-6

2-Ethylhexylamine

110-25-8

N-oleoylsarcosine

N'-2-ethylhexyl N-oleoylsarcosinamide

Conditions
ConditionsYield
at 130℃; for 3h; Inert atmosphere; Dean-Stark;
at 130℃; for 3h; Dean-Stark; Inert atmosphere;266.6 g
at 130℃; for 3h; Dean-Stark; Inert atmosphere;266.6 g
at 130℃; for 3h; Dean-Stark; Inert atmosphere;266.6 g
110-25-8

N-oleoylsarcosine

111-42-2

2,2'-iminobis[ethanol]

N',N' bis(2-hydroxyethyl) N-oleoylsarcosinamide

Conditions
ConditionsYield
With Amberlyst 15 acidic resin at 150℃; for 3h; Inert atmosphere; Dean-Stark;
With Amberlyst 15 acidic resin at 150℃; for 3h; Dean-Stark; Inert atmosphere;371.6 g
With Amberlyst 15 acidic resin at 150℃; for 3h; Dean-Stark; Inert atmosphere;371.6 g
With Amberlyst 15 acidic resin at 150℃; for 3h; Dean-Stark; Inert atmosphere;371.6 g
110-25-8

N-oleoylsarcosine

71-36-3

butan-1-ol

butyl N-oleoylsarcosinate

Conditions
ConditionsYield
With Amberlyst 15 acidic resin for 3h; Inert atmosphere; Dean-Stark; Reflux;310 g
With Amberlyst 15 acidic resin for 3h; Dean-Stark; Reflux; Inert atmosphere;310 g
With Amberlyst 15 acidic resin for 3h; Dean-Stark; Inert atmosphere; Reflux;310 g
With Amberlyst 15 acidic resin for 3h; Dean-Stark; Inert atmosphere; Reflux;310 g

N-Oleoylsarcosine Specification

The N-Oleoylsarcosine, with CAS registry number 110-25-8, has the systematic name of N-methyl-N-[(9Z)-octadec-9-enoyl]glycine. This chemical is a kind of light yellow liquid. And the chemical formula of this chemical is C21H39NO3. The main use of this chemical is for corrosion inhibitor. What's more, its EINECS is 203-749-3.The N-Oleoylsarcosine irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

Physical properties of N-Oleoylsarcosine:
(1)ACD/LogP:  6.885; (2)# of Rule of 5 Violations:  1; (3)ACD/LogD (pH 5.5):  4.59; (4)ACD/LogD (pH 7.4):  3.26; (5)ACD/BCF (pH 5.5):  509.75; (6)ACD/BCF (pH 7.4):  24.10; (7)ACD/KOC (pH 5.5):  671.88; (8)ACD/KOC (pH 7.4):  31.76; (9)#H bond acceptors:  4; (10)#H bond donors:  1; (11)#Freely Rotating Bonds:  17; (12)Index of Refraction:  1.481; (13)Molar Refractivity:  104.712 cm3; (14)Molar Volume:  367.791 cm3; (15)Polarizability:  41.511 10-24cm3 ; (16)Surface Tension:  37.0480003356934 dyne/cm; (17)Density:  0.961 g/cm3; (18)Flash Point:  255.851 °C; (19)Enthalpy of Vaporization:  84.061 kJ/mol; (20)Boiling Point:  499.438 °C at 760 mmHg; (21)Vapour Pressure:  0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:O=C(N(C)CC(=O)O)CCCCCCC\C=C/CCCCCCCC;
(2)Std. InChI:InChI=1S/C21H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22(2)19-21(24)25/h10-11H,3-9,12-19H2,1-2H3,(H,24,25)/b11-10-;
(3)Std. InChIKey:DIOYAVUHUXAUPX-KHPPLWFESA-N.

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