Sigamide

Base Information

Chemical Name:Sigamide
CAS No.:928789-96-2
Molecular Formula:C₂₁H₃₄N₂O₂
Molecular Weight:346.513
Hs Code.:
European Community (EC) Number:693-338-9
DSSTox Substance ID:DTXSID00582957
Nikkaji Number:J2.472.841B
Mol file:928789-96-2.mol

Synonyms:sigamide

Suppliers and Price of Sigamide

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Sigma-Aldrich
S-N-(3,5-Di-tert-butylphenyl)-3-methyl-2-(N-formyl-N-methylamino)butanamide 96%
100mg
$ 247.00

Sigma-Aldrich
S-N-(3,5-Di-tert-butylphenyl)-3-methyl-2-(N-formyl-N-methylamino)butanamide 96%
50mg
$ 151.00

American Custom Chemicals Corporation
S-N-(3,5-DI-TERT-BUTYLPHENYL)-3-METHYL-2-(N-FORMYL-N-METHYLAMINO)BUTANAMIDE 95.00%
100MG
$ 771.31

American Custom Chemicals Corporation
S-N-(3,5-DI-TERT-BUTYLPHENYL)-3-METHYL-2-(N-FORMYL-N-METHYLAMINO)BUTANAMIDE 95.00%
50MG
$ 680.96

Total 3 raw suppliers

Chemical Property of Sigamide

Chemical Property:

Melting Point:180-186 °C
Boiling Point:486.1±45.0 °C(Predicted)
PKA:13?+-.0.70(Predicted)
PSA：52.90000
Density:1.008±0.06 g/cm3(Predicted)
LogP:5.61830
Storage Temp.:2-8°C
XLogP3:5.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:346.262028332
Heavy Atom Count:25
Complexity:438

Purity/Quality:

98%,99%, ^*data from raw suppliers

S-N-(3,5-Di-tert-butylphenyl)-3-methyl-2-(N-formyl-N-methylamino)butanamide 96% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xi
Statements: 36
Safety Statements: 26

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)C(C(=O)NC1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)N(C)C=O
Isomeric SMILES:CC(C)[C@@H](C(=O)NC1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)N(C)C=O
Uses Used in the synthesis of chiral 1,2-diarylsubstituted aziridines.

Technology Process of Sigamide

There total 6 articles about Sigamide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

: 928790-09-4
tert-butyl (S)-(-)-1-[(3',5'-di-tert-butylanilino)carbonyl]-2-methylpropyl(methyl)carbamate

: 64-18-6
formic acid

: 928789-96-2
(S)-(-)-N-(3',5'-di-tert-butylphenyl)-2-[formyl(methyl)amino]-3-methylbutanamide

Guidance literature:: tert-butyl (S)-(-)-1-[(3',5'-di-tert-butylanilino)carbonyl]-2-methylpropyl(methyl)carbamate; With trifluoroacetic acid; In dichloromethane; at 0 ℃; for 1h;

formic acid; With acetic anhydride; at 20 ℃;
DOI:10.1021/jo062215i

Reference yield:

: 45170-31-8
Boc-N-Me-Val-OH

: 928789-96-2
(S)-(-)-N-(3',5'-di-tert-butylphenyl)-2-[formyl(methyl)amino]-3-methylbutanamide

Guidance literature:: Multi-step reaction with 3 steps

1: 95 percent / triethylamine; 1-hydroxybenzotriazole hydrate; 1-(3-dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride / CH₂Cl₂ / 21 h / 0 - 20 °C

2: CH₂Cl₂ / 1 h / 0 °C

3: 985 mg / acetic anhydride / 0 - 20 °C

With acetic anhydride; 1-hydroxybenzotriazol-hydrate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In dichloromethane;
DOI:10.1002/anie.200700165

Reference yield:

: 928790-09-4
tert-butyl (S)-(-)-1-[(3',5'-di-tert-butylanilino)carbonyl]-2-methylpropyl(methyl)carbamate

: 928789-96-2
(S)-(-)-N-(3',5'-di-tert-butylphenyl)-2-[formyl(methyl)amino]-3-methylbutanamide

Guidance literature:: Multi-step reaction with 2 steps

1: CH₂Cl₂ / 1 h / 0 °C

2: 985 mg / acetic anhydride / 0 - 20 °C

With acetic anhydride; In dichloromethane;
DOI:10.1002/anie.200700165