2-(3-methoxypropylamino)-N-[4-(4-nitrophenyl)sulfonylphenyl]acetamide

Base Information

• Chemical Name: 2-(3-methoxypropylamino)-N-[4-(4-nitrophenyl)sulfonylphenyl]acetamide
• CAS No.: 29588-91-8
• Molecular Formula: C13H13NO4S
• Molecular Weight: 279.317
• Hs Code.: 2930909090
• NSC Number: 136950
• DSSTox Substance ID: DTXSID90952069
• Wikidata: Q82930579
• Mol file: 29588-91-8.mol

Synonyms:NSC136950;DTXSID90952069;NSC-136950;50384-99-1;N~2~-(3-Methoxypropyl)-N-[4-(4-nitrobenzene-1-sulfonyl)phenyl]glycinamide

Chemical Property of 2-(3-methoxypropylamino)-N-[4-(4-nitrophenyl)sulfonylphenyl]acetamide

Chemical Property:

• Vapor Pressure: 1.5E-15mmHg at 25°C
• Melting Point: 124 °C(Solv: water (7732-18-5); methanol (67-56-1))
• Refractive Index: 1.605
• Boiling Point: 606.2 °C at 760 mmHg
• PKA: 3.45±0.10(Predicted)
• Flash Point: 320.4 °C
• PSA: 99.98000
• Density: 1.368 g/cm³
• LogP: 1.42680
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 9
• Exact Mass: 407.11510657
• Heavy Atom Count: 28
• Complexity: 600

Purity/Quality:

99% ^*data from raw suppliers

Pht-Met-OH 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COCCCNCC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of 2-(3-methoxypropylamino)-N-[4-(4-nitrophenyl)sulfonylphenyl]acetamide

There total 3 articles about 2-(3-methoxypropylamino)-N-[4-(4-nitrophenyl)sulfonylphenyl]acetamide 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: 100.0%

phthalic anhydride (85-44-9) + L-methionine (63-68-3,26062-47-5,58576-49-1) → (2S)-4-methylthio-2-(1,3-dioxo-2-benzazole-2-yl)butanoic acid (29588-91-8)

Guidance literature:

In water; for 0.0333333h; Irradiation;

Reference yield:

phthalic anhydride (85-44-9) + DL-methionine (59-51-8,26062-47-5,58576-49-1) → 1,3-dihydro-1,3-dioxo-α(CH2CH2SCH3)-2H-isoindole-2-acetate (5464-44-8,29588-91-8,52881-96-6)

Guidance literature:

at 185 ℃;

Reference yield:

→ 1,3-dihydro-1,3-dioxo-α(CH2CH2SCH3)-2H-isoindole-2-acetate (5464-44-8,29588-91-8,52881-96-6)

Guidance literature:

N-Ethoxycarbonyl-phthalimid, DL-Methionin, wss. Na2CO3, Raumtemp.;

upstream raw materials:

phthalic anhydride

L-methionine

DL-methionine

Downstream raw materials:

methyl-(S)-2-phthalimido-4-methylthiobutanoate

ethyl (S)-4-(methylthio)-2-phthalimidobutanoate

(S_CS_S)-L-methionine sulfoxide

(S_CR_S)-L-methionine sulfoxide

Refernces

• 1、 Deng, Gongtao,Jiang, Yaojia,Jiao, Yongjuan,Li, Yingmei,Wu, Jiamin,Zhang, Jinli,Zhang, Zhengyu. "Palladium-Catalyzed Decarbonylation of Amino Acid Derivatives via C-C Bond and C-N Bond Dual Activations". . p. 17462 - 17470. Retrieved 2021/12/02.
• 2、 Cai, Yan,Ge, Haihong,Sun, Weize,Miao, Zhiwei. "Trifluoroborane-catalyzed C-H functionalization/S-H insertion reaction: Construction of N,S-acetal quaternary centers". supporting information. p. 1669 - 1677. Retrieved 2015/06/02.