N-Methyltaurine sodium salt supplier

Name
N-METHYLTAURINE SODIUM SALT
EINECS 224-339-0
CAS No. 4316-74-9
Article Data1
CAS DataBase
Density 1.21 g/cm³
Solubility 410g/L at 20℃
Melting Point
Formula C₃H₈NNaO₃S
Boiling Point 493.73℃[at 101 325 Pa]
Molecular Weight 161.157
Flash Point
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Ethanesulfonicacid, 2-(methylamino)-, monosodium salt (9CI);Taurine, N-methyl-, monosodiumsalt (8CI);Taurine, N-methyl-, sodium salt (6CI,7CI);2-(Methylamino)ethanesulfonic acid sodium salt;Methyltaurine sodium salt;N-Methyltaurine monosodium salt;N-Methyltaurine sodium salt;Sodium(methylamino)ethanesulfonate;Sodium 2-(methylamino)ethanesulfonate;SodiumN-methyltaurate;Sodium N-methyltaurinate;Sodium N-methyltaurine;Sodiummethyltaurate;Sodium methyltaurine;
PSA 77.61000
LogP 0.22270

Synthetic route

: 50-00-0
formaldehyd

: 7347-25-3
sodium taurinate

: 4316-74-9
2-methylamino-1-ethanesulphonic acid sodium salt

Conditions

Conditions	Yield
Stage #1: formaldehyd; sodium taurinate With tetrakis(triphenylphosphine) palladium(0); scandium(III) chloride; cerium(III) chloride; (R,S)-(±)-1-(2-diphenylphosphino-1-naphthyl)isoquinoline In water at 80℃; for 6h; Molecular sieve; Stage #2: With hydrogen In water under 5250.53 Torr; for 7h; Temperature; Reagent/catalyst;	482.3 g

: 2767-80-8
tris(hydroxymethyl)phosphine

: 4316-74-9
2-methylamino-1-ethanesulphonic acid sodium salt

: tris(N-methyl-N-sodiumsulfonatoethylaminomethyl)phosphine

Conditions

Conditions	Yield
In water at 20℃; for 1h; Condensation;	99%

: 4316-74-9
2-methylamino-1-ethanesulphonic acid sodium salt

: 107-68-6
N-Methyltaurine

Conditions

Conditions	Yield
With acetic acid In methanol at 20 - 30℃; for 1h; Product distribution / selectivity;	97%
With propionic acid In methanol at 20 - 30℃; for 1h; Product distribution / selectivity;	95%

: C32H49BrO3

: 4316-74-9
2-methylamino-1-ethanesulphonic acid sodium salt

: sodium 2-({2-[3-oxolup-20(29)-en-17β-carbonyloxy]ethyl}(methyl)amino)ethanesulfonate

Conditions

Conditions	Yield
Stage #1: 2-methylamino-1-ethanesulphonic acid sodium salt With potassium carbonate In N,N-dimethyl-formamide for 0.25h; Stage #2: C32H49BrO3 In N,N-dimethyl-formamide at 95℃; for 50h;	74%

: 1187656-58-1
3-bromopropyl betulonate

: 4316-74-9
2-methylamino-1-ethanesulphonic acid sodium salt

: sodium 2-({2-[3-oxolup-20(29)-en-17β-carbonyloxy]propyl}(methyl)amino)ethanesulfonate

Conditions

Conditions	Yield
Stage #1: 2-methylamino-1-ethanesulphonic acid sodium salt With potassium carbonate In N,N-dimethyl-formamide for 0.25h; Stage #2: 3-bromopropyl betulonate In N,N-dimethyl-formamide at 95℃; for 50h;	69%

: (S)-4-((1-(6-(2-((4-cyanophenethyl)carbamoyl)pyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-yl)piperidin-4-yl)oxy)but-2-yn-1-yl methanesulfonate

: 4316-74-9
2-methylamino-1-ethanesulphonic acid sodium salt

: (S)-2-((4-((1-(6-(2-((4-cyanophenethyl)carbamoyl)pyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-yl)piperidin-4-yl)oxy)but-2-yn-1-yl)(methyl)amino)ethanesulfonic acid

Conditions

Conditions	Yield
In water; acetonitrile at 75℃;	43%

: 4316-74-9
2-methylamino-1-ethanesulphonic acid sodium salt

: 148258-35-9
1-Benzyl-4-(3-chloro-propoxy)-benzene

: 452897-33-5
2-{[3-(4-benzyl-phenoxy)-propyl]-methyl-amino}-ethanesulfonic acid

Conditions

Conditions	Yield
With triethylamine In N,N-dimethyl-formamide at 40℃; for 60h;	37%

: 1446358-48-0
3-(3-(4-chloro-5-fluoropyrimidin-2-yl)-1-(2-fluorobenzyl)-1H-pyrazol-5-yl)isoxazole

: 4316-74-9
2-methylamino-1-ethanesulphonic acid sodium salt

: C20H18F2N6O4S

Conditions

Conditions	Yield
With triethylamine In 1,4-dioxane; water at 65℃; for 24h;	33%

: 3343-24-6
ω-phenyl undecanoic acid

: 4316-74-9
2-methylamino-1-ethanesulphonic acid sodium salt

: N-Methyl-N-(11-phenyl-undecanoyl)-taurin

Conditions

Conditions	Yield
(i) SOCl2, (ii) /BRN= 6012642/; Multistep reaction;

: 20913-07-9
13-phenyl-tridecanoic acid

: 4316-74-9
2-methylamino-1-ethanesulphonic acid sodium salt

: 101524-00-9
N-Methyl-N-(13-phenyl-tridecanoyl)-taurin

Conditions

Conditions	Yield
(i) SOCl2, (ii) /BRN= 6012642/; Multistep reaction;

: 7170-44-7
11-Phenoxyundecanoic acid

: 4316-74-9
2-methylamino-1-ethanesulphonic acid sodium salt

: 2-[Methyl-(11-phenoxy-undecanoyl)-amino]-ethanesulfonic acid

Conditions

Conditions	Yield
(i) SOCl2, (ii) /BRN= 6012642/; Multistep reaction;

: 7170-43-6
9-phenoxy-nonanoic acid

: 4316-74-9
2-methylamino-1-ethanesulphonic acid sodium salt

: 2-[Methyl-(9-phenoxy-nonanoyl)-amino]-ethanesulfonic acid

Conditions

Conditions	Yield
(i) SOCl2, (ii) /BRN= 6012642/; Multistep reaction;

: 16269-06-0
9-phenylnonanoic acid

: 4316-74-9
2-methylamino-1-ethanesulphonic acid sodium salt

: N-Methyl-N-(9-phenyl-nonanoyl)-taurin

Conditions

Conditions	Yield
(i) SOCl2, (ii) /BRN= 6012642/; Multistep reaction;

: 96766-58-4
9-[1]naphthyl-nonanoic acid

: 4316-74-9
2-methylamino-1-ethanesulphonic acid sodium salt

: N-Methyl-N-<9-(1-naphthyl)-nonanoyl>-taurin

Conditions

Conditions	Yield
(i) SOCl2, (ii) /BRN= 6012642/; Multistep reaction;

: 101271-63-0
9-(4-methylphenyl)-8-nonanoic acid

: 4316-74-9
2-methylamino-1-ethanesulphonic acid sodium salt

: N-Methyl-N-(9-p-tolyl-nonanoyl)-taurin

Conditions

Conditions	Yield
(i) SOCl2, (ii) /BRN= 6012642/; Multistep reaction;

: 108240-91-1
11-(4-methylphenyl)undecanoic acid

: 4316-74-9
2-methylamino-1-ethanesulphonic acid sodium salt

: N-Methyl-N-(11-p-tolyl-undecanoyl)-taurin

Conditions

Conditions	Yield
(i) SOCl2, (ii) /BRN= 6012642/; Multistep reaction;

: 74-83-9
methyl bromide

: 4542-77-2
2,6-bis(bromomethyl)naphthalene

: 4316-74-9
2-methylamino-1-ethanesulphonic acid sodium salt

: C20H30N2O6S2

Conditions

Conditions	Yield
With sodium carbonate 1.) ethanol, 3 days, 2.) H2O-methanol, room temp., 3 days; Yield given. Multistep reaction;

...Expand

: 74-83-9
methyl bromide

: 4316-74-9
2-methylamino-1-ethanesulphonic acid sodium salt

: 86-52-2
1-Chloromethylnaphthalene

: C15H19NO3S

Conditions

Conditions	Yield
With sodium carbonate 1.) ethanol, 3 days, 2.) H2O-methanol, room temp., 3 days; Yield given. Multistep reaction;

...Expand

: 501-53-1
benzyl chloroformate

: 4316-74-9
2-methylamino-1-ethanesulphonic acid sodium salt

: 1146526-01-3
2-[[(benzyloxy)carbonyl](methyl)amino]-ethane-1-sulfonic acid, sodium salt

Conditions

Conditions	Yield
In aq. sodium hydroxide

3-(31,41 -dichloro-61 -methyl)-phenyl-Δ2 -pyrazoline-1-p-phenylsulphinic acid sodium salt: 3-(31,41 -dichloro-61 -methyl)-phenyl-Δ2 -pyrazoline-1-p-phenylsulphinic acid sodium salt

: 4316-74-9
2-methylamino-1-ethanesulphonic acid sodium salt

: 625-36-5
2-chloropropionyl chloride

: 109-98-8
4,5-dihydro-1H-pyrazole

Conditions

Conditions	Yield
With sodium hydroxide; sodium chloride; sodium carbonate In 2-ethoxy-ethanol; water; acetic acid

...Expand

3-(3',4'-dichloro-6'-methyl)-phenyl-4-methyl-Δ2 -pyrazoline-1-(p-phenylsulphinic acid) sodium salt: 3-(3',4'-dichloro-6'-methyl)-phenyl-4-methyl-Δ2 -pyrazoline-1-(p-phenylsulphinic acid) sodium salt

: 4316-74-9
2-methylamino-1-ethanesulphonic acid sodium salt

: 625-36-5
2-chloropropionyl chloride

: 109-98-8
4,5-dihydro-1H-pyrazole

Conditions

Conditions	Yield
With sodium hydroxide; sodium chloride; sodium carbonate In 2-ethoxy-ethanol; water

...Expand

: 1140967-03-8
C20H9BrCl2O3

: 4316-74-9
2-methylamino-1-ethanesulphonic acid sodium salt

: 121-44-8
triethylamine

: 2C6H16N(1+)*C26H23BrN2O9S2(2-)

Conditions

Conditions	Yield
Stage #1: C20H9BrCl2O3; 2-methylamino-1-ethanesulphonic acid sodium salt With tributyl-amine; zinc(II) chloride In 1-methyl-pyrrolidin-2-one at 160℃; for 9h; Stage #2: triethylamine In 1-methyl-pyrrolidin-2-one; methanol; dichloromethane

...Expand

: (E)-10-pentafluorosulfanyldec-9-enecarbonyl chloride

: 4316-74-9
2-methylamino-1-ethanesulphonic acid sodium salt

: C13H23F5NO4S2(1-)*Na(1+)

Conditions

Conditions	Yield
Stage #1: (E)-10-pentafluorosulfanyldec-9-enecarbonyl chloride; 2-methylamino-1-ethanesulphonic acid sodium salt With triethylamine In tetrahydrofuran Stage #2: With sodium hydroxide In ethanol; water

: 112-16-3
n-dodecanoyl chloride

: 4316-74-9
2-methylamino-1-ethanesulphonic acid sodium salt

: 4337-75-1
sodium N-lauroyl N-methyl taurate

Conditions

Conditions	Yield
With sodium hydroxide In water at 10 - 30℃; for 7h; pH=10.3 - 10.6; Schotten-Baumann Reaction; Inert atmosphere;
With sodium hydroxide In water at 10 - 30℃; for 7h; pH=10.3 - 10.6; Inert atmosphere;

: 143-07-7
lauric acid

: 4316-74-9
2-methylamino-1-ethanesulphonic acid sodium salt

: 4337-75-1
sodium N-lauroyl N-methyl taurate

Conditions

Conditions	Yield
Stage #1: lauric acid With magnesium oxide; acetic acid In paraffin oil at 100℃; for 0.0833333h; Stage #2: 2-methylamino-1-ethanesulphonic acid sodium salt In water; paraffin oil at 220℃; for 4h; Temperature;

: 122193-68-4
3-[2-(tridecafluorohexyl)ethoxy]-1,2-epoxypropane

: 4316-74-9
2-methylamino-1-ethanesulphonic acid sodium salt

: C14H17F13NO5S(1-)*Na(1+)

Conditions

Conditions	Yield
at 80℃; for 5h;

: 111-87-5
octanol

: 4316-74-9
2-methylamino-1-ethanesulphonic acid sodium salt

: N-octanoyl-N-methyl taurine sodium

Conditions

Conditions	Yield
With manganese(II) acetate at 200℃; for 9h;

: 112-53-8
1-dodecyl alcohol

: 4316-74-9
2-methylamino-1-ethanesulphonic acid sodium salt

: 4337-75-1
sodium N-lauroyl N-methyl taurate

Conditions

Conditions	Yield
With manganese(II) acetate at 210℃; for 6h;

: 108-24-7
acetic anhydride

: 4316-74-9
2-methylamino-1-ethanesulphonic acid sodium salt

: 57-10-3
1-hexadecylcarboxylic acid

: 3737-55-1
sodium myristoyl methyl taurate

Conditions

Conditions	Yield
Stage #1: acetic anhydride; 1-hexadecylcarboxylic acid at 150℃; for 8h; Stage #2: 2-methylamino-1-ethanesulphonic acid sodium salt In water at 90 - 260℃; for 5h;

...Expand

: 143-07-7
lauric acid

: 108-24-7
acetic anhydride

: 4316-74-9
2-methylamino-1-ethanesulphonic acid sodium salt

: 4337-75-1
sodium N-lauroyl N-methyl taurate

Conditions

Conditions	Yield
Stage #1: lauric acid; acetic anhydride at 140℃; Stage #2: 2-methylamino-1-ethanesulphonic acid sodium salt In water at 45 - 90℃; for 6h;

...Expand

N-Methyltaurine sodium salt Specification

The Ethanesulfonic acid,2-(methylamino)-, sodium salt (1:1) with the CAS registry number 4316-74-9 is also known as N-Methyltaurine sodium salt. The IUPAC name is sodium 2-(methylamino)ethanesulfonatets. Its EINECS registry number is 224-339-0. In addition, the molecular formula is C₃H₈NNaO₃S and molecular weight is 161.16. It should be stored in a cool, ventilated and dry place.

Physical properties about Ethanesulfonic acid,2-(methylamino)-, sodium salt (1:1) are: (1)ACD/LogP: -2.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.73; (4)ACD/LogD (pH 7.4): -4.73; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 65.99 Å².

Uses of Ethanesulfonic acid,2-(methylamino)-, sodium salt (1:1): it is used as pharmaceutiucal materials and chemical intermediate. And it can be used to produce 2-{[3-(4-Benzyl-phenoxy)-propyl]-methyl-amino}-ethanesulfonic acid. This reaction needs reagent Et₃N and solvent dimethylformamide. The reaction time is 60 hours at temperature of 40 °C. The yield is 37 %.

Ethanesulfonic acid,2-(methylamino)-, sodium salt (1:1) can be used to produce 2-{[3-(4-Benzyl-phenoxy)-propyl]-methyl-amino}-ethanesulfonic acid.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice. Although this material may have on harm to the environment, if anarchic license, do not put this material into surroundings.

You can still convert the following datas into molecular structure:
(1) SMILES: [Na+].[O-]S(=O)(=O)CCNC
(2) InChI: InChI=1/C3H9NO3S.Na/c1-4-2-3-8(5,6)7;/h4H,2-3H2,1H3,(H,5,6,7);/q;+1/p-1
(3) InChIKey: KKDONKAYVYTWGY-REWHXWOFAJ

Product Name

N-METHYLTAURINE SODIUM SALT

Synthetic route

N-Methyltaurine sodium salt Specification

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