(E)-[2-[[(2R,5S)-5-[3-(diaminomethylideneamino)propyl]-1-methyl-3,7-dioxo-1,4-diazepan-2-yl]methyl]hydrazinyl]methylideneurea

Base Information

Chemical Name:(E)-[2-[[(2R,5S)-5-[3-(diaminomethylideneamino)propyl]-1-methyl-3,7-dioxo-1,4-diazepan-2-yl]methyl]hydrazinyl]methylideneurea
CAS No.:128126-46-5
Molecular Formula:C₁₃H₂₅N₉O₃
Molecular Weight:355.4
Hs Code.:
UNII:7TWX2V5P6Q
Nikkaji Number:J550.935A
Mol file:128126-46-5.mol

Synonyms:TAN 1057C;TAN-1057C

Suppliers and Price of (E)-[2-[[(2R,5S)-5-[3-(diaminomethylideneamino)propyl]-1-methyl-3,7-dioxo-1,4-diazepan-2-yl]methyl]hydrazinyl]methylideneurea

Supply Marketing:

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

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Chemical Property of (E)-[2-[[(2R,5S)-5-[3-(diaminomethylideneamino)propyl]-1-methyl-3,7-dioxo-1,4-diazepan-2-yl]methyl]hydrazinyl]methylideneurea

Chemical Property:

Density:1.552g/cm³
XLogP3:-3.3
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:355.20803569
Heavy Atom Count:25
Complexity:571

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C(C(=O)NC(CC1=O)CCCN=C(N)N)CN=C(N)NC(=O)N
Isomeric SMILES:CN1[C@@H](C(=O)N[C@H](CC1=O)CCCN=C(N)N)CN=C(N)NC(=O)N

Technology Process of (E)-[2-[[(2R,5S)-5-[3-(diaminomethylideneamino)propyl]-1-methyl-3,7-dioxo-1,4-diazepan-2-yl]methyl]hydrazinyl]methylideneurea

There total 11 articles about (E)-[2-[[(2R,5S)-5-[3-(diaminomethylideneamino)propyl]-1-methyl-3,7-dioxo-1,4-diazepan-2-yl]methyl]hydrazinyl]methylideneurea 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%

: C₃₇H₄₃N₉O₉

: 128126-46-5
TAN-1057C/D

Guidance literature:: With hydrogen; palladium dichloride; In methanol; dichloromethane; for 0.166667h;
DOI:10.1021/ja972670j

Reference yield:

: 51219-19-3
N^α-tert-butoxycarbonyl-N^δ,N^ω-di-benzyloxycarbonyl-L-arginine

: 128126-46-5
TAN-1057C/D

Guidance literature:: Multi-step reaction with 11 steps

1: 1.) ethyl chloroformate, N-methylmorpholine / 1.) THF, 0 deg C, 3 h, 2.) THF, ether, room temp., overnight

2: H₂O, silver benzoate, Et₃N / 2-methyl-propan-2-ol / Ambient temperature

3: 56 percent / bis(2-oxo-3-oxazolidinyl)phosphinic chloride, N-methylmorpholine / CH₂Cl₂

4: 140 mg / CF₃COOH, anisole / 2 h / Ambient temperature

5: 43 percent / O-benzotriazol-1-yl-N,N,N'N'-tetramethyluronium tetrafluoroborate, N,N-diisopropylethylamine / CH₂Cl₂ / 48 h

6: 84 mg / methanol; CH₂Cl₂ / 0.17 h / 0 °C

7: 38 percent / Et₃N / dioxane; H₂O / Ambient temperature

8: 99 percent / CF₃COOH, anisole / 1 h / Ambient temperature

9: 30 percent / Et₃N / CH₂Cl₂ / 4 h / Ambient temperature

10: 6.0 mg / CF₃COOH, anisole / 1 h / Ambient temperature

11: 100 percent / H₂ / PdCl₂ / methanol; CH₂Cl₂ / 0.17 h

With 4-methyl-morpholine; water; hydrogen; silver benzoate; bis-(2-oxo-3-oxazolidinyl)phosphoryl chloride; chloroformic acid ethyl ester; O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; methoxybenzene; triethylamine; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; palladium dichloride; In 1,4-dioxane; methanol; dichloromethane; water; tert-butyl alcohol;
DOI:10.1021/ja972670j

Reference yield:

: 198416-16-9
L-N^α-t-BOC-N^δ,N^ω-di-CBz-β-homoarginine

: 128126-46-5
TAN-1057C/D

Guidance literature:: Multi-step reaction with 9 steps

1: 56 percent / bis(2-oxo-3-oxazolidinyl)phosphinic chloride, N-methylmorpholine / CH₂Cl₂

2: 140 mg / CF₃COOH, anisole / 2 h / Ambient temperature

3: 43 percent / O-benzotriazol-1-yl-N,N,N'N'-tetramethyluronium tetrafluoroborate, N,N-diisopropylethylamine / CH₂Cl₂ / 48 h

4: 84 mg / methanol; CH₂Cl₂ / 0.17 h / 0 °C

5: 38 percent / Et₃N / dioxane; H₂O / Ambient temperature

6: 99 percent / CF₃COOH, anisole / 1 h / Ambient temperature

7: 30 percent / Et₃N / CH₂Cl₂ / 4 h / Ambient temperature

8: 6.0 mg / CF₃COOH, anisole / 1 h / Ambient temperature

9: 100 percent / H₂ / PdCl₂ / methanol; CH₂Cl₂ / 0.17 h

With 4-methyl-morpholine; hydrogen; bis-(2-oxo-3-oxazolidinyl)phosphoryl chloride; O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; methoxybenzene; triethylamine; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; palladium dichloride; In 1,4-dioxane; methanol; dichloromethane; water;
DOI:10.1021/ja972670j