Methyl 16-ethenyl-11-ethyl-12-(hydroxymethylidene)-17,21,26-trimethyl-4-oxo-22-[3-oxo-3-(3,7,11,15-tetramethylhexadec-2-enoxy)propyl]-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5(26),6,8,10,13(25),14,16,18(24),19-decaene-3-carboxylate

Base Information

• Chemical Name: Methyl 16-ethenyl-11-ethyl-12-(hydroxymethylidene)-17,21,26-trimethyl-4-oxo-22-[3-oxo-3-(3,7,11,15-tetramethylhexadec-2-enoxy)propyl]-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5(26),6,8,10,13(25),14,16,18(24),19-decaene-3-carboxylate
• CAS No.: 3147-18-0
• Molecular Formula: C55H72 N4 O6
• Molecular Weight: 885.2
• European Community (EC) Number: 221-565-1
• Wikidata: Q110199060
• Mol file: 3147-18-0.mol

Synonyms:3147-18-0

Chemical Property of Methyl 16-ethenyl-11-ethyl-12-(hydroxymethylidene)-17,21,26-trimethyl-4-oxo-22-[3-oxo-3-(3,7,11,15-tetramethylhexadec-2-enoxy)propyl]-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5(26),6,8,10,13(25),14,16,18(24),19-decaene-3-carboxylate

Chemical Property:

• Boiling Point: 1050.2°Cat760mmHg
• Flash Point: 589°C
• PSA: 143.04000
• Density: 1.16g/cm³
• LogP: 9.31690
• XLogP3: 11
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 22
• Exact Mass: 884.54518603
• Heavy Atom Count: 65
• Complexity: 2350

Purity/Quality:

99.0% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=C2C=C3C(=C4C(=O)C(C(=C5C(C(C(=CC6=NC(=CC(=N2)C1=CO)C(=C6C)C=C)N5)C)CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C4=N3)C(=O)OC)C

Technology Process of Methyl 16-ethenyl-11-ethyl-12-(hydroxymethylidene)-17,21,26-trimethyl-4-oxo-22-[3-oxo-3-(3,7,11,15-tetramethylhexadec-2-enoxy)propyl]-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5(26),6,8,10,13(25),14,16,18(24),19-decaene-3-carboxylate

There total 7 articles about Methyl 16-ethenyl-11-ethyl-12-(hydroxymethylidene)-17,21,26-trimethyl-4-oxo-22-[3-oxo-3-(3,7,11,15-tetramethylhexadec-2-enoxy)propyl]-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5(26),6,8,10,13(25),14,16,18(24),19-decaene-3-carboxylate 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%

(10R)-Chlorophyll b (519-62-0) → pheophytin b (3147-18-0,75498-61-2)

Guidance literature:

With trichloroacetic acid; In tetrahydrofuran; Petroleum ether; for 0.25h;

Reference yield: 100.0%

(10S)-Chlorophyll b' → pheophytin b′ (3147-18-0,75498-61-2)

Guidance literature:

With trichloroacetic acid; In tetrahydrofuran; Petroleum ether; for 0.25h;

Reference yield:

→ pheophytin b (3147-18-0,75498-61-2)

Guidance literature:

With oxalic acid;

upstream raw materials:

(10R)-Chlorophyll b

chlorophyll b

Downstream raw materials:

(10R)-Chlorophyll b

pheophorbide-b

methyl pheophorbide b

rhodin g₇

Refernces

• 1、 Mazaki, Hitoshi,Watanabe, Tadashi,Takahashi, Terumi,Struck, Andreas,Scheer, Hugo. "Pheophytinization of Eight Chlorophyll Derivatives in Aqueous Acetone". . p. 3212 - 3214. Retrieved 1992.
• 2、 Springer, Joseph W.,Faries, Kaitlyn M.,Diers, James R.,Muthiah, Chinnasamy,Mass, Olga,Kee, Hooi Ling,Kirmaier, Christine,Lindsey, Jonathan S.,Bocian, David F.,Holten, Dewey. "Effects of substituents on synthetic analogs of chlorophylls. Part 3: The distinctive impact of auxochromes at the 7- versus 3-positions". experimental part. p. 651 - 674. Retrieved 2012/08/29.