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HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HRID 618581Erstellt: 25. Oktober 2026

Beta-Aminoisobutyric Acid → CID 100940562

https://huagongshe.com/reaction/618581

Reaktionsgleichung

Beteiligte Stoffe

RolleNameHCIDEinwaage
EduktBeta-Aminoisobutyric AcidHCID 64956—
Edukt(+-)-2-Hydroxyisocaproic acidHCID 92779—
Edukt(13E)-10-[(3-chloro-4-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-[1-(3-phenyloxiran-2-yl)ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetroneHCID 5468287—
EduktCryptophycinHCID 6438401—
EduktCryptophycin 6HCID 9985532—
EduktCryptophycin 3HCID 10077879—
Edukt3-Chloro-O-methyl-L-tyrosineHCID 53820250—
Edukt5,7,8-Trihydroxy-6-methyl-8-phenyl-2-octenoic acidHCID 54006655—
EduktCryptophycin 4HCID 101025283—
LösungsmittelChloroformHCID 6212—
ProduktCID 100940562HCID 100940562—

Reaktionsschritte

[α]D +22.2°(CHCl3, c 1.13); UV λmax (ε) 250 (17000), 284 (3300); IR (neat) νmax 3415, 3272, 2960, 1744, 1734, 1674, 1504, 1259, 1197, 1174, 1067, 694 cm-1 ; EIMS m/z (rel intensity) 624/626 (2.6/1.1), 398/400 (44/15), 227 (100), 195/197 (50/16), 155/157 (59/20), 131 (63), 91 (95); high resolution EIMS m/z 624.2607(calcd for C34H41ClN2O7, -0.5 mmu error); 1H NMR(CDCl3) amino or hydroxy acid unit δ (carbon position, multiplicity; J in Hz) 5-hydroxy-6-methyl-8-phenyl-2,7-octadienoic acid (A) 5.75 (2, dd; 15.3 and 1.1), 6.69 (3, ddd; 15.3, 10.1 and 5.3), 2.36 (4, m), 2.54 (4, m), 5.03 (5, ddd; 11.0, 6.4 and 1.8), 2.56 (6, m), 1.14 (6-Me, d; 6.8), 6.01 (7, dd; 15.8 and 8.8), 6.41 (8, d; 15.8), 7.28-7.33 (10/11/13/14, m), 7.22 (12, m); 3-chloro-4-methoxyphelylalanine (B) 4.76 (2, m), 5.67 (2-NH, d; 8.6), 3.0 (3, dd; 14.4 and 10.2), 3.14 (3, dd; 14.4 and 5.9), 7.22 (5, d; 2.2), 3.87 (7-OMe, s), 6.83 (8, d; 8.4), 7.08 (9, dd; 8.4 and 2.2); 3-aminopropionic acid (C) 2.55 (2-H2, m), 3.44 (3, m), 3.55 (3, m), 6.89 (3-NH, br t; 5.7); leucic acid (D) 4.90 (2, dd; 9.9 and 3.5), 1.34 (3, ddd; 15.4, 10.3 and 3.5), 1.63 (3, m), 1.63 (4, m). 0.76 (4-Me, d; 6.4), 0.72 (5, d; 6.4); 13C NMR (CDCl3) unit δ (carbon position) A 165.6 (1), 125.2 (2), 141.5 (3), 36.4 (4), 77.1 (5), 42.3 (6), 17.3 (6-Me), 130.1 (7), 131.8 (8), 136.7 (9), 126.2 (10/14), 128.6 (11/13), 127.6 (12); B 170.9 (1), 53.8 (2), 34.9 (3), 129.9 (4), 131.0 (5), 122.4 (6), 153.9 (7), 56.1 (7-OMe), 112.2 (8), 128.4 (9); C 172.6 (1), 32.4 (2), 34.5 (3); D 170.4 (1), 71.5 (2), 39.7 (3), 24.4 (4), 21.2 (4-Me), 22.6 (5).

Herkunft & Nachweise

DOI10.6084/m9.figshare.5104873.v1
PatentnummerUS05952298
Quelldatensatzuspto-grants-1999_09
ORD IDord-762d08c1800349b6a0e013c6b080602b
Quellennotizuspto-grants-1999_09